data_[Nd12Co4I2Br6]
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
  I  2.6600  1.4000  1.2733
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1823]
_cell_length_b [4.0465]
_cell_length_c [9.4156]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.0599]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Co2IBr3]
_chemical_formula_sum '[Nd12 Co4 I2 Br6]'
_cell_volume [708.9588]
_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  0.0295  0.0000  0.2802  1
  Nd  Nd1  4  0.1775  0.5000  0.1513  1
  Nd  Nd2  4  0.1801  0.5000  0.5494  1
  Co  Co3  4  0.1699  0.0000  0.3397  1
  I  I4  2  0.0000  0.5000  0.0000  1
  Br  Br5  4  0.1563  0.0000  0.8391  1
  Br  Br6  2  0.0000  0.5000  0.5000  1
]