data_[Ta2Ni4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7411]
_cell_length_b [3.8906]
_cell_length_c [8.2655]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.5116]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ta(NiPt3)2]
_chemical_formula_sum '[Ta2 Ni4 Pt12]'
_cell_volume [266.5522]
_cell_formula_units_Z [2]
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  2  0.0000  0.0000  0.5000  1.0
  Ni  Ni1  4  0.1632  0.5000  0.7197  1.0
  Pt  Pt2  4  0.0001  0.0000  0.1766  1.0
  Pt  Pt3  4  0.1656  0.5000  0.3920  1.0
  Pt  Pt4  4  0.1676  0.5000  0.0546  1.0
]