data_Ta2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.31
_cell_length_b   5.31
_cell_length_c   5.31
_cell_angle_alpha   136.87
_cell_angle_beta   136.87
_cell_angle_gamma   62.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PtSe
_chemical_formula_sum   'Ta2 Pt1 Se1'
_cell_volume   69.25
_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  Ta2  1  0.95  0.0  0.27  1.0
  Ta  Ta3  1  0.0  0.0  0.54  1.0
  Pt  Pt0  1  0.0  0.95  0.27  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Ta2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   3.91
_cell_length_c   5.31
_cell_angle_alpha   111.57
_cell_angle_beta   111.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2PtSe
_chemical_formula_sum   'Ta2 Pt1 Se1'
_cell_volume   69.25
_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  0.46  0.0  0.46  1.0
  Ta  Ta1  1  0.73  0.0  0.68  1.0
  Pt  Pt2  1  0.68  0.95  0.68  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Ta Ta Pt Se