data_[Nd12Ni4Ge2Br6]
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
  Ge  2.0100  1.2500  0.7700
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [19.2222]
_cell_length_b [4.0920]
_cell_length_c [9.0230]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3040]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd6Ni2GeBr3]
_chemical_formula_sum '[Nd12 Ni4 Ge2 Br6]'
_cell_volume [677.5992]
_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  0.0143  0.0000  0.2374  1.0
  Nd  Nd1  4  0.1614  0.5000  0.1238  1.0
  Nd  Nd2  4  0.1777  0.5000  0.5509  1.0
  Ni  Ni3  4  0.1686  0.0000  0.3379  1.0
  Ge  Ge4  2  0.0000  0.5000  0.0000  1.0
  Br  Br5  4  0.1606  0.0000  0.8365  1.0
  Br  Br6  2  0.0000  0.5000  0.5000  1.0
]