data_[Nd6Ga2Br2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Ga  1.8100  1.3000  0.7600
  Br  2.9600  1.1500  0.8825
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.2352]
_cell_length_b [4.0157]
_cell_length_c [9.6614]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.3196]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Nd3GaBrCl]
_chemical_formula_sum '[Nd6 Ga2 Br2 Cl2]'
_cell_volume [348.6628]
_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  0.1462  0.7500  0.0982  1
  Nd  Nd1  2  0.1503  0.7500  0.4718  1
  Nd  Nd2  2  0.3009  0.2500  0.8204  1
  Ga  Ga3  2  0.0455  0.7500  0.7593  1
  Br  Br4  2  0.4143  0.2500  0.1424  1
  Cl  Cl5  2  0.3711  0.2500  0.5544  1
]