data_TiAs2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   121.8
_cell_angle_beta   118.62
_cell_angle_gamma   89.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pt
_chemical_formula_sum   'Ti1 As2 Pt1'
_cell_volume   65.49
_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
  As  As0  1  0.0  0.31  0.57  1.0
  As  As1  1  0.2  0.0  0.64  1.0
  Pt  Pt2  1  0.0  0.0  0.21  1.0

data_TiAs2Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.41
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   61.38
_cell_angle_beta   60.9
_cell_angle_gamma   60.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TiAs2Pt
_chemical_formula_sum   'Ti1 As2 Pt1'
_cell_volume   65.49
_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
  As  As1  1  0.44  0.2  0.36  1.0
  As  As2  1  0.57  -0.0  0.74  1.0
  Pt  Pt3  1  0.21  0.0  0.79  1.0

Ti As As Pt