data_[Tc1Mo1Pt14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tc  1.9000  1.3500  0.7417
  Mo  2.1600  1.4500  0.7750
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.6104]
_cell_length_b [5.6104]
_cell_length_c [7.8977]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TcMoPt14]
_chemical_formula_sum '[Tc1 Mo1 Pt14]'
_cell_volume [248.5875]
_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
[
  Tc  Tc0  1  0.0000  0.0000  0.5000  1
  Mo  Mo1  1  0.5000  0.5000  0.5000  1
  Pt  Pt2  8  0.2499  0.2499  0.2580  1
  Pt  Pt3  2  0.0000  0.5000  0.0000  1
  Pt  Pt4  2  0.0000  0.5000  0.5000  1
  Pt  Pt5  1  0.0000  0.0000  0.0000  1
  Pt  Pt6  1  0.5000  0.5000  0.0000  1
]