data_Sb2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.16
_cell_length_b   7.16
_cell_length_c   7.16
_cell_angle_alpha   34.84
_cell_angle_beta   34.84
_cell_angle_gamma   34.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeP
_chemical_formula_sum   'Sb2 Te1 P1'
_cell_volume   106.88
_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
  Sb  Sb1  1  0.0  0.0  0.32  1.0
  Sb  Sb2  1  0.0  0.0  0.83  1.0
  Te  Te3  1  0.0  0.0  0.08  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_Sb2TeP
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.42
_cell_length_b   4.29
_cell_length_c   7.16
_cell_angle_alpha   90.0
_cell_angle_beta   110.23
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sb2TeP
_chemical_formula_sum   'Sb4 Te2 P2'
_cell_volume   213.75
_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
  Sb  Sb0  2  0.0  0.0  0.17  1.0
  Sb  Sb1  2  0.0  0.0  0.68  1.0
  Te  Te2  2  0.0  0.0  0.92  1.0
  P  P3  2  0.0  0.0  0.0  1.0

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