data_[Nd8Cu2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Cu  1.9000  1.3500  0.8200
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.6489]
_cell_length_b [4.0767]
_cell_length_c [8.8049]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4350]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4CuBr5]
_chemical_formula_sum '[Nd8 Cu2 Br10]'
_cell_volume [653.6972]
_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
[
  Nd  Nd0  4  0.0015  0.0000  0.2257  1.0
  Nd  Nd1  4  0.1560  0.5000  0.0762  1.0
  Cu  Cu2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1679  0.0000  0.3332  1.0
  Br  Br4  4  0.1709  0.0000  0.8231  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]