data_SiTe2P
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.89
_cell_length_b   7.89
_cell_length_c   7.89
_cell_angle_alpha   151.72
_cell_angle_beta   151.72
_cell_angle_gamma   40.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe2P
_chemical_formula_sum   'Si1 Te2 P1'
_cell_volume   110.22
_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
  Si  Si1  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.93  0.0  0.7  1.0
  Te  Te3  1  0.0  0.0  0.41  1.0
  P  P0  1  0.0  0.93  0.7  1.0

data_SiTe2P
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.86
_cell_length_b   3.86
_cell_length_c   7.89
_cell_angle_alpha   104.14
_cell_angle_beta   104.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SiTe2P
_chemical_formula_sum   'Si1 Te2 P1'
_cell_volume   110.22
_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
  Si  Si0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.41  0.41  0.41  1.0
  Te  Te2  1  0.7  0.78  0.78  1.0
  P  P3  1  0.78  0.7  0.78  1.0

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