data_[Ti6Pt1O1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ti  1.5400  1.4000  0.8517
  Pt  2.2800  1.3500  0.8050
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [4.6718]
_cell_length_b [5.2550]
_cell_length_c [5.3778]
_cell_angle_alpha [97.6708]
_cell_angle_beta [112.7926]
_cell_angle_gamma [90.7773]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Ti6PtO]
_chemical_formula_sum '[Ti6 Pt1 O1]'
_cell_volume [120.3181]
_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
[
  Ti  Ti0  2  0.0637  0.7943  0.6532  1.0
  Ti  Ti1  2  0.2104  0.3354  0.9463  1.0
  Ti  Ti2  2  0.4128  0.8941  0.2463  1.0
  Pt  Pt3  1  0.5000  0.5000  0.5000  1.0
  O  O4  1  0.0000  0.0000  0.0000  1.0
]