data_[Nd12Ni4As2Br6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ni  1.9100  1.3500  0.7400
  As  2.1800  1.1500  0.6600
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.1836]
_cell_length_b [4.0365]
_cell_length_c [9.0500]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4278]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Ni2AsBr3]
_chemical_formula_sum '[Nd12 Ni4 As2 Br6]'
_cell_volume [672.1726]
_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  0.0126  0.0000  0.2350  1.0
  Nd  Nd1  4  0.1629  0.5000  0.1231  1.0
  Nd  Nd2  4  0.1765  0.5000  0.5443  1.0
  Ni  Ni3  4  0.1666  0.0000  0.3324  1.0
  As  As4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1611  0.0000  0.8351  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]