data_[Ta2Cu1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.7778]
_cell_length_b [4.5724]
_cell_length_c [5.0287]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.4502]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2CuPt]
_chemical_formula_sum '[Ta2 Cu1 Pt1]'
_cell_volume [63.7544]
_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  0.8111  0.5000  0.3029  1
  Ta  Ta1  1  0.9399  0.0000  0.9571  1
  Cu  Cu2  1  0.3799  0.0000  0.4599  1
  Pt  Pt3  1  0.3691  0.5000  0.7801  1
]