data_[Ti12Fe10Pt2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.2316]
_cell_length_b [12.6561]
_cell_length_c [6.0451]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Ti6Fe5Pt]
_chemical_formula_sum '[Ti12 Fe10 Pt2]'
_cell_volume [323.7438]
_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
[
  Ti  Ti0  8  0.0000  0.1719  0.2542  1
  Ti  Ti1  4  0.0000  0.5000  0.2633  1
  Fe  Fe2  4  0.0000  0.3335  0.0000  1
  Fe  Fe3  4  0.0000  0.3337  0.5000  1
  Fe  Fe4  2  0.0000  0.0000  0.5000  1
  Pt  Pt5  2  0.0000  0.0000  0.0000  1
]