data_TiPt2Se
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.3
_cell_length_c   5.3
_cell_angle_alpha   143.05
_cell_angle_beta   132.95
_cell_angle_gamma   61.28
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt2Se
_chemical_formula_sum   'Ti1 Pt2 Se1'
_cell_volume   64.76
_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  Ti3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.68  0.0  0.45  1.0
  Pt  Pt1  1  0.0  0.11  0.1  1.0
  Se  Se2  1  0.0  0.0  0.56  1.0

data_TiPt2Se
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.23
_cell_length_c   5.3
_cell_angle_alpha   113.52
_cell_angle_beta   108.47
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiPt2Se
_chemical_formula_sum   'Ti1 Pt2 Se1'
_cell_volume   64.76
_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  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.22  0.55  0.22  1.0
  Pt  Pt2  1  0.9  0.01  0.01  1.0
  Se  Se3  1  0.44  0.44  0.44  1.0

Ti Pt Pt Se