MgNiF6.cif

# generated using pymatgen
data_MgNiF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.22190287
_cell_length_b   5.22190287
_cell_length_c   5.22190287
_cell_angle_alpha   56.45501097
_cell_angle_beta   56.45501097
_cell_angle_gamma   56.45501097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNiF6
_chemical_formula_sum   'Mg1 Ni1 F6'
_cell_volume   92.43478979
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Mg  Mg0  1  0.50000000  0.50000000  0.50000000  1
  Ni  Ni1  1  0.00000000  0.00000000  0.00000000  1
  F  F2  1  0.10102800  0.77183900  0.36467700  1
  F  F3  1  0.77183900  0.36467700  0.10102800  1
  F  F4  1  0.63532300  0.89897200  0.22816100  1
  F  F5  1  0.22816100  0.63532300  0.89897200  1
  F  F6  1  0.89897200  0.22816100  0.63532300  1
  F  F7  1  0.36467700  0.10102800  0.77183900  1