data_[Nd6Ga16Pt6]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.3205]
_cell_length_b [9.9889]
_cell_length_c [12.5587]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Nd3Ga8Pt3]
_chemical_formula_sum '[Nd6 Ga16 Pt6]'
_cell_volume [541.9894]
_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  0.0000  0.0000  0.1804  1.0
  Nd  Nd1  2  0.0000  0.0000  0.5000  1.0
  Ga  Ga2  8  0.0000  0.2812  0.3727  1.0
  Ga  Ga3  8  0.0000  0.3698  0.1677  1.0
  Pt  Pt4  4  0.0000  0.2187  0.0000  1.0
  Pt  Pt5  2  0.0000  0.5000  0.5000  1.0
]