data_[Nd6Co2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [8.9529]
_cell_length_b [4.0769]
_cell_length_c [12.0039]
_cell_angle_alpha [90.0000]
_cell_angle_beta [92.9179]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3CoBr3]
_chemical_formula_sum '[Nd6 Co2 Br6]'
_cell_volume [437.5710]
_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  2  0.1022  0.2500  0.3860  1
  Nd  Nd1  2  0.1205  0.2500  0.8412  1
  Nd  Nd2  2  0.3170  0.7500  0.6221  1
  Co  Co3  2  0.1114  0.2500  0.6220  1
  Br  Br4  2  0.1249  0.2500  0.1150  1
  Br  Br5  2  0.3677  0.7500  0.8744  1
  Br  Br6  2  0.3907  0.7500  0.3715  1
]