data_Te2PtSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.46
_cell_length_b   6.46
_cell_length_c   5.16
_cell_angle_alpha   113.35
_cell_angle_beta   113.35
_cell_angle_gamma   33.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PtSe
_chemical_formula_sum   'Te2 Pt1 Se1'
_cell_volume   109.24
_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
  Te  Te2  1  0.22  0.0  0.06  1.0
  Te  Te3  1  0.44  0.0  0.36  1.0
  Pt  Pt0  1  0.26  0.0  0.08  1.0
  Se  Se1  1  0.76  0.0  0.55  1.0

data_Te2PtSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.76
_cell_length_b   5.16
_cell_length_c   6.46
_cell_angle_alpha   113.35
_cell_angle_beta   106.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PtSe
_chemical_formula_sum   'Te2 Pt1 Se1'
_cell_volume   109.24
_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
  Te  Te0  1  0.0  0.06  0.22  1.0
  Te  Te1  1  0.0  0.36  0.44  1.0
  Pt  Pt2  1  0.0  0.08  0.26  1.0
  Se  Se3  1  0.0  0.55  0.76  1.0

Te Te Pt Se
Te Te Pt Se 0 2 o o o 0 1 o o o 1 2 o o o 1 3 o o o 