data_Te2PbSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.28
_cell_length_b   5.28
_cell_length_c   4.26
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   103.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PbSe
_chemical_formula_sum   'Te2 Pb1 Se1'
_cell_volume   115.46
_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  0.64  0.07  0.13  1.0
  Te  Te3  1  0.64  0.93  0.13  1.0
  Pb  Pb0  1  0.28  0.0  0.0  1.0
  Se  Se1  1  0.0  0.0  0.0  1.0

data_Te2PbSe
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.26
_cell_length_b   5.28
_cell_length_c   5.28
_cell_angle_alpha   103.18
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2PbSe
_chemical_formula_sum   'Te2 Pb1 Se1'
_cell_volume   115.46
_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  0.13  0.64  0.07  1.0
  Te  Te1  1  0.13  0.64  0.93  1.0
  Pb  Pb2  1  0.0  0.28  0.0  1.0
  Se  Se3  1  0.0  0.0  0.0  1.0

Te Te Pb Se