data_[Nd8C2Br10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  C  2.5500  0.7000  0.3000
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.4033]
_cell_length_b [3.9628]
_cell_length_c [8.4619]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.5873]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd4CBr5]
_chemical_formula_sum '[Nd8 C2 Br10]'
_cell_volume [599.8473]
_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  0.0009  0.0000  0.7942  1.0
  Nd  Nd1  4  0.1410  0.5000  0.0755  1.0
  C  C2  2  0.0000  0.5000  0.0000  1.0
  Br  Br3  4  0.1645  0.0000  0.3431  1.0
  Br  Br4  4  0.1704  0.0000  0.8294  1.0
  Br  Br5  2  0.0000  0.5000  0.5000  1.0
]