data_Si2TeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   145.6
_cell_angle_beta   131.28
_cell_angle_gamma   60.99
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TeP
_chemical_formula_sum   'Si2 Te1 P1'
_cell_volume   78.2
_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  0.35  0.6  1.0
  Si  Si2  1  0.0  0.0  0.98  1.0
  Te  Te3  1  0.0  0.35  0.28  1.0
  P  P0  1  0.0  0.0  0.9  1.0

data_Si2TeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.71
_cell_length_c   5.71
_cell_angle_alpha   114.36
_cell_angle_beta   107.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Si2TeP
_chemical_formula_sum   'Si2 Te1 P1'
_cell_volume   78.2
_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  0.02  0.02  0.02  1.0
  Si  Si1  1  0.4  0.75  0.75  1.0
  Te  Te2  1  0.72  0.07  0.07  1.0
  P  P3  1  0.1  0.1  0.1  1.0

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