data_[Tb3Y1Pt8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Y  1.2200  1.8000  1.0400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.4616]
_cell_length_b [5.4616]
_cell_length_c [8.8928]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Tb3YPt8]
_chemical_formula_sum '[Tb3 Y1 Pt8]'
_cell_volume [229.7218]
_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
[
  Tb  Tb0  1  0.0000  0.0000  0.9349  1
  Tb  Tb1  1  0.6667  0.3333  0.0653  1
  Tb  Tb2  1  0.6667  0.3333  0.4353  1
  Y  Y3  1  0.0000  0.0000  0.5650  1
  Pt  Pt4  3  0.1642  0.3285  0.2499  1
  Pt  Pt5  3  0.5024  0.0048  0.7500  1
  Pt  Pt6  1  0.3333  0.6667  0.5000  1
  Pt  Pt7  1  0.3333  0.6667  0.9999  1
]