data_[Nd16Ga6Co2Br8]
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
  Co  1.8800  1.3500  0.7683
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.8305]
_cell_length_b [8.3890]
_cell_length_c [8.9512]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.8746]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Nd8Ga3CoBr4]
_chemical_formula_sum '[Nd16 Ga6 Co2 Br8]'
_cell_volume [924.6146]
_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  8  0.0075  0.2313  0.2918  1.0
  Nd  Nd1  4  0.2308  0.0000  0.7183  1.0
  Nd  Nd2  4  0.2446  0.5000  0.7356  1.0
  Ga  Ga3  4  0.2500  0.2500  0.5000  1.0
  Ga  Ga4  2  0.0000  0.5000  0.5000  1.0
  Co  Co5  2  0.0000  0.0000  0.5000  1.0
  Br  Br6  4  0.2500  0.2500  0.0000  1.0
  Br  Br7  2  0.0000  0.0000  0.0000  1.0
  Br  Br8  2  0.0000  0.5000  0.0000  1.0
]