data_[Nd4Ga1Ir1Br2]
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
  Ir  2.2000  1.3500  0.7650
  Br  2.9600  1.1500  0.8825
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.6365]
_cell_length_b [4.1166]
_cell_length_c [8.0754]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2079]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Nd4GaIrBr2]
_chemical_formula_sum '[Nd4 Ga1 Ir1 Br2]'
_cell_volume [241.1485]
_cell_formula_units_Z [1]
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  0.2288  0.5000  0.1979  1.0
  Nd  Nd1  2  0.2365  0.0000  0.7932  1.0
  Ga  Ga2  1  0.5000  0.5000  0.0000  1.0
  Ir  Ir3  1  0.0000  0.0000  0.0000  1.0
  Br  Br4  1  0.0000  0.5000  0.5000  1.0
  Br  Br5  1  0.5000  0.0000  0.5000  1.0
]