data_TeP2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.44
_cell_length_b   7.44
_cell_length_c   7.44
_cell_angle_alpha   154.98
_cell_angle_beta   139.87
_cell_angle_gamma   47.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeP2Cl
_chemical_formula_sum   'Te1 P2 Cl1'
_cell_volume   111.88
_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  Te3  1  0.61  0.0  0.33  1.0
  P  P1  1  0.61  0.0  0.05  1.0
  P  P2  1  0.0  0.0  0.41  1.0
  Cl  Cl0  1  0.0  0.0  0.6  1.0

data_TeP2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   5.1
_cell_length_c   7.44
_cell_angle_alpha   110.06
_cell_angle_beta   102.51
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeP2Cl
_chemical_formula_sum   'Te1 P2 Cl1'
_cell_volume   111.88
_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  0.28  0.67  0.28  1.0
  P  P1  1  0.56  0.95  0.56  1.0
  P  P2  1  0.59  0.59  0.59  1.0
  Cl  Cl3  1  0.4  0.4  0.4  1.0

Te P P Cl
Te P P Cl 0 3 + o o 0 1 o o o 1 2 + o o 2 3 o o o 