data_[Tc4Ni4Pt12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  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 [14.0963]
_cell_length_b [3.8299]
_cell_length_c [5.5066]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.7106]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TcNiPt3]
_chemical_formula_sum '[Tc4 Ni4 Pt12]'
_cell_volume [291.0949]
_cell_formula_units_Z [4]
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
[
  Tc  Tc0  4  0.2023  0.0000  0.8612  1
  Ni  Ni1  4  0.0983  0.5000  0.5488  1
  Pt  Pt2  4  0.0046  0.0000  0.7431  1
  Pt  Pt3  4  0.1034  0.5000  0.0487  1
  Pt  Pt4  4  0.2022  0.0000  0.3538  1
]