data_[Sr2Mo2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mo  2.1600  1.4500  0.7750
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3327]
_cell_length_b [6.7251]
_cell_length_c [5.5096]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.1089]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrMoF6]
_chemical_formula_sum '[Sr2 Mo2 F12]'
_cell_volume [255.1317]
_cell_formula_units_Z [2]
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
[
  Sr  Sr0  2  0.0000  0.5000  0.5000  1.0
  Mo  Mo1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.0807  0.2060  0.2836  1.0
  F  F3  4  0.2245  0.5000  0.9763  1.0
]