data_TeP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.0
_cell_length_b   3.28
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TeP2Os
_chemical_formula_sum   'Te1 P2 Os1'
_cell_volume   74.21
_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  0.15  1.0
  P  P1  1  0.0  0.0  0.41  1.0
  P  P2  1  0.5  0.64  0.08  1.0
  Os  Os0  1  0.5  0.64  0.23  1.0

data_TeP2Os
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.28
_cell_length_b   3.0
_cell_length_c   7.55
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   TeP2Os
_chemical_formula_sum   'Te1 P2 Os1'
_cell_volume   74.21
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  Te0  1  0.0  0.0  0.15  1.0
  P  P1  1  0.0  0.0  0.41  1.0
  P  P2  1  0.64  0.5  0.08  1.0
  Os  Os3  1  0.64  0.5  0.23  1.0

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