data_[Ta12Ru8Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ru  2.2000  1.3000  0.6610
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.1594]
_cell_length_b [12.5720]
_cell_length_c [7.4569]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ta3Ru2Pt]
_chemical_formula_sum '[Ta12 Ru8 Pt4]'
_cell_volume [389.9340]
_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
[
  Ta  Ta0  8  0.0000  0.1660  0.2633  1
  Ta  Ta1  4  0.0000  0.5000  0.2584  1
  Ru  Ru2  4  0.0000  0.3326  0.5000  1
  Ru  Ru3  2  0.0000  0.0000  0.0000  1
  Ru  Ru4  2  0.0000  0.0000  0.5000  1
  Pt  Pt5  4  0.0000  0.3317  0.0000  1
]