data_[Y2In2Br8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  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 [C2/m]
_cell_length_a [13.7453]
_cell_length_b [4.2625]
_cell_length_c [8.3582]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1105]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [YInBr4]
_chemical_formula_sum '[Y2 In2 Br8]'
_cell_volume [476.9350]
_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
[
  Y  Y0  2  0.0000  0.0000  0.5000  1
  In  In1  2  0.0000  0.5000  0.0000  1
  Br  Br2  4  0.1166  0.5000  0.4084  1
  Br  Br3  4  0.1186  0.0000  0.8147  1
]