data_[Nd4Er4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Er  1.2400  1.7500  1.0300
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7228]
_cell_length_b [6.7472]
_cell_length_c [7.1372]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.7839]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [NdErPt]
_chemical_formula_sum '[Nd4 Er4 Pt4]'
_cell_volume [323.0415]
_cell_formula_units_Z [4]
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  0.2430  0.5000  0.3806  1.0
  Er  Er1  4  0.0000  0.2449  0.0000  1.0
  Pt  Pt2  4  0.2215  0.5000  0.7764  1.0
]