data_[Ta1Pt1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Pt  2.2800  1.3500  0.8050
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7580]
_cell_length_b [4.2025]
_cell_length_c [5.7555]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.3090]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [TaPtW2]
_chemical_formula_sum '[Ta1 Pt1 W2]'
_cell_volume [66.1662]
_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
[
  Ta  Ta0  1  0.5592  0.5000  0.7492  1
  Pt  Pt1  1  0.9933  0.0000  0.5044  1
  W  W2  1  0.0226  0.0000  0.0085  1
  W  W3  1  0.4249  0.5000  0.2378  1
]