data_[Li2Cu2Br5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  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 [3.9757]
_cell_length_b [6.7262]
_cell_length_c [10.0098]
_cell_angle_alpha [73.6195]
_cell_angle_beta [88.6867]
_cell_angle_gamma [86.6109]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Li2Cu2Br5]
_chemical_formula_sum '[Li2 Cu2 Br5]'
_cell_volume [256.3538]
_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
[
  Li  Li0  2  0.2112  0.9131  0.7671  1
  Cu  Cu1  2  0.1903  0.6864  0.2010  1
  Br  Br2  2  0.2800  0.5193  0.8090  1
  Br  Br3  2  0.3006  0.8886  0.3565  1
  Br  Br4  1  0.0000  0.0000  0.0000  1
]