data_[Tl4Cu2H2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tl  1.6200  1.9000  1.3325
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.1999]
_cell_length_b [14.2646]
_cell_length_c [9.7302]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9150]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [Tl2CuHBr5]
_chemical_formula_sum '[Tl4 Cu2 H2 Br10]'
_cell_volume [575.8928]
_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
[
  Tl  Tl0  2  0.0584  0.3237  0.6738  1.0
  Tl  Tl1  2  0.1288  0.6503  0.8302  1.0
  Cu  Cu2  2  0.4593  0.5843  0.3952  1.0
  H  H3  2  0.4986  0.4048  0.9950  1.0
  Br  Br4  2  0.0287  0.9996  0.5745  1.0
  Br  Br5  2  0.3825  0.6690  0.1776  1.0
  Br  Br6  2  0.3876  0.9753  0.1836  1.0
  Br  Br7  2  0.3914  0.3570  0.1174  1.0
  Br  Br8  2  0.4744  0.2122  0.4367  1.0
]