data_[Nd4Ga3Ir1]
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
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.3258]
_cell_length_b [4.3509]
_cell_length_c [10.8444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Nd4Ga3Ir]
_chemical_formula_sum '[Nd4 Ga3 Ir1]'
_cell_volume [204.1043]
_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  1  0.0000  0.0000  0.8601  1.0
  Nd  Nd1  1  0.0000  0.5000  0.3574  1.0
  Nd  Nd2  1  0.5000  0.0000  0.1318  1.0
  Nd  Nd3  1  0.5000  0.5000  0.6540  1.0
  Ga  Ga4  1  0.0000  0.0000  0.5723  1.0
  Ga  Ga5  1  0.0000  0.5000  0.0677  1.0
  Ga  Ga6  1  0.5000  0.0000  0.4286  1.0
  Ir  Ir7  1  0.5000  0.5000  0.9281  1.0
]