data_[Sr1Cr1In2Br6]
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
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [7.5440]
_cell_length_b [7.7741]
_cell_length_c [7.9277]
_cell_angle_alpha [61.8217]
_cell_angle_beta [63.4551]
_cell_angle_gamma [89.9472]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SrCr(InBr3)2]
_chemical_formula_sum '[Sr1 Cr1 In2 Br6]'
_cell_volume [353.3853]
_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
[
  Sr  Sr0  1  0.0000  0.5000  0.0000  1.0
  Cr  Cr1  1  0.5000  0.0000  0.0000  1.0
  In  In2  2  0.2921  0.2267  0.5631  1.0
  Br  Br3  2  0.1849  0.1361  0.0556  1.0
  Br  Br4  2  0.2619  0.6631  0.5051  1.0
  Br  Br5  2  0.3705  0.7737  0.9061  1.0
]