data_[Cu4Ni2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cu  1.9000  1.3500  0.8200
  Ni  1.9100  1.3500  0.7400
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3280]
_cell_length_b [8.3071]
_cell_length_c [6.0434]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.9879]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Cu2NiBr5]
_chemical_formula_sum '[Cu4 Ni2 Br10]'
_cell_volume [424.7936]
_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
[
  Cu  Cu0  4  0.1773  0.2167  0.7842  1
  Ni  Ni1  2  0.4762  0.5000  0.9536  1
  Br  Br2  4  0.4614  0.2136  0.8683  1
  Br  Br3  2  0.0256  0.0000  0.4071  1
  Br  Br4  2  0.1835  0.5000  0.6580  1
  Br  Br5  2  0.2604  0.0000  0.1223  1
]