data_SbTe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   4.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   109.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe2P
_chemical_formula_sum   'Sb1 Te2 P1'
_cell_volume   110.33
_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  0.04  0.0  0.0  1.0
  Te  Te2  1  0.04  0.28  0.12  1.0
  Te  Te3  1  0.04  0.72  0.12  1.0
  P  P0  1  0.0  0.0  0.0  1.0

data_SbTe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   109.29
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SbTe2P
_chemical_formula_sum   'Sb1 Te2 P1'
_cell_volume   110.33
_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  Sb0  1  0.0  0.04  0.0  1.0
  Te  Te1  1  0.12  0.04  0.28  1.0
  Te  Te2  1  0.12  0.04  0.72  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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