data_[Cs4Y2In2Br12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  In  1.7800  1.5500  0.9400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [8.2583]
_cell_length_b [8.5963]
_cell_length_c [14.4519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.6726]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Cs2YInBr6]
_chemical_formula_sum '[Cs4 Y2 In2 Br12]'
_cell_volume [843.7542]
_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
[
  Cs  Cs0  4  0.2680  0.5620  0.7496  1.0
  Y  Y1  2  0.0000  0.0000  0.5000  1.0
  In  In2  2  0.5000  0.0000  0.0000  1.0
  Br  Br3  4  0.1529  0.5164  0.2309  1.0
  Br  Br4  4  0.2220  0.2264  0.0402  1.0
  Br  Br5  4  0.3166  0.6843  0.0389  1.0
]