data_[Sr6Cr2Br4F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  Br  2.9600  1.1500  0.8825
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8950]
_cell_length_b [7.4826]
_cell_length_c [5.7300]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.7523]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr3Cr(BrF3)2]
_chemical_formula_sum '[Sr6 Cr2 Br4 F12]'
_cell_volume [544.8844]
_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  4  0.2500  0.2500  0.5000  1
  Sr  Sr1  2  0.0000  0.5000  0.0000  1
  Cr  Cr2  2  0.0000  0.0000  0.5000  1
  Br  Br3  4  0.2172  0.5000  0.8891  1
  F  F4  8  0.0644  0.2597  0.3026  1
  F  F5  4  0.1537  0.0000  0.6236  1
]