data_TaPtSe2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   5.46
_cell_angle_alpha   99.96
_cell_angle_beta   99.96
_cell_angle_gamma   40.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtSe2
_chemical_formula_sum   'Ta1 Pt1 Se2'
_cell_volume   92.57
_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
  Ta  Ta3  1  0.99  0.0  0.2  1.0
  Pt  Pt0  1  0.25  0.0  0.39  1.0
  Se  Se1  1  0.31  0.0  0.01  1.0
  Se  Se2  1  0.38  0.0  0.82  1.0

data_TaPtSe2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.58
_cell_length_b   5.14
_cell_length_c   5.46
_cell_angle_alpha   99.96
_cell_angle_beta   90.0
_cell_angle_gamma   110.36
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaPtSe2
_chemical_formula_sum   'Ta1 Pt1 Se2'
_cell_volume   92.57
_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
  Ta  Ta0  1  0.0  0.01  0.8  1.0
  Pt  Pt1  1  0.0  0.75  0.61  1.0
  Se  Se2  1  0.0  0.62  0.18  1.0
  Se  Se3  1  0.0  0.69  0.99  1.0

Ta Pt Se Se