data_[In2Cu4Br2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.7093]
_cell_length_b [3.5955]
_cell_length_c [4.1425]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.1697]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [InCu2Br]
_chemical_formula_sum '[In2 Cu4 Br2]'
_cell_volume [186.3226]
_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
[
  In  In0  2  0.4831  0.0000  0.5484  1
  Cu  Cu1  2  0.3382  0.0000  0.9614  1
  Cu  Cu2  2  0.4721  0.5000  0.0481  1
  Br  Br3  2  0.2067  0.5000  0.9422  1
]