data_TeP3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.56
_cell_length_b   7.56
_cell_length_c   7.56
_cell_angle_alpha   152.57
_cell_angle_beta   152.57
_cell_angle_gamma   39.18
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeP3
_chemical_formula_sum   'Te1 P3'
_cell_volume   91.43
_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  0.0  0.0  0.12  1.0
  P  P0  1  0.79  0.0  0.56  1.0
  P  P1  1  0.0  0.79  0.56  1.0
  P  P2  1  0.0  0.0  0.0  1.0

data_TeP3
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.07
_cell_length_b   5.07
_cell_length_c   7.56
_cell_angle_alpha   90.0
_cell_angle_beta   109.59
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TeP3
_chemical_formula_sum   'Te2 P6'
_cell_volume   182.86
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.12  0.0  0.12  1.0
  P  P1  4  0.16  0.4  0.77  1.0
  P  P2  2  0.0  0.0  0.0  1.0

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