data_[Nd8Tm8Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Nd  1.1400  1.8500  1.2765
  Tm  1.2500  1.7500  1.0950
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pbca]
_cell_length_a [6.8955]
_cell_length_b [13.3967]
_cell_length_c [7.1327]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [61]
_chemical_formula_structural [NdTmPt]
_chemical_formula_sum '[Nd8 Tm8 Pt8]'
_cell_volume [658.8981]
_cell_formula_units_Z [8]
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  0.2086  0.6961  0.0995  1
  Tm  Tm1  8  0.0028  0.0304  0.7595  1
  Pt  Pt2  8  0.2309  0.0994  0.4606  1
]