data_[Ta2Ir1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ir  2.2000  1.3500  0.7650
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8252]
_cell_length_b [4.6817]
_cell_length_c [4.9847]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2IrPt]
_chemical_formula_sum '[Ta2 Ir1 Pt1]'
_cell_volume [65.8379]
_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  0.0612  0.0000  0.0559  1.0
  Ta  Ta1  1  0.1906  0.5000  0.6882  1.0
  Ir  Ir2  1  0.6252  0.0000  0.5593  1.0
  Pt  Pt3  1  0.6230  0.5000  0.1966  1.0
]