data_[Y1Cu1Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [5.7741]
_cell_length_b [7.1410]
_cell_length_c [7.8549]
_cell_angle_alpha [70.4250]
_cell_angle_beta [73.6738]
_cell_angle_gamma [85.7278]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [YCuBr6]
_chemical_formula_sum '[Y1 Cu1 Br6]'
_cell_volume [292.7859]
_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
[
  Y  Y0  1  0.5000  0.5000  0.0000  1
  Cu  Cu1  1  0.0000  0.0000  0.0000  1
  Br  Br2  2  0.0786  0.6764  0.1808  1
  Br  Br3  2  0.2254  0.1308  0.1530  1
  Br  Br4  2  0.4727  0.6872  0.6443  1
]