data_[Ti36Co18Pt3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Co  1.8800  1.3500  0.7683
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [10.9296]
_cell_length_b [10.9296]
_cell_length_c [9.4713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [Ti12Co6Pt]
_chemical_formula_sum '[Ti36 Co18 Pt3]'
_cell_volume [979.8319]
_cell_formula_units_Z [3]
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  18  0.0350  0.2149  0.3908  1
  Ti  Ti1  18  0.0390  0.2265  0.8907  1
  Co  Co2  18  0.0477  0.2600  0.6476  1
  Pt  Pt3  3  0.0000  0.0000  0.0000  1
]