data_[Ta4Ni2Pt2]
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 [Cm]
_cell_length_a [9.1130]
_cell_length_b [2.8725]
_cell_length_c [4.9418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.6224]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ta2NiPt]
_chemical_formula_sum '[Ta4 Ni2 Pt2]'
_cell_volume [126.7094]
_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  0.2450  0.0000  0.7117  1
  Ta  Ta1  2  0.4998  0.5000  0.0247  1
  Ni  Ni2  2  0.0011  0.5000  0.5243  1
  Pt  Pt3  2  0.2540  0.5000  0.2393  1
]