data_Te2POs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.45
_cell_length_b   6.45
_cell_length_c   6.45
_cell_angle_alpha   151.91
_cell_angle_beta   134.05
_cell_angle_gamma   54.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2POs
_chemical_formula_sum   'Te2 P1 Os1'
_cell_volume   90.18
_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  Te2  1  0.56  0.0  0.08  1.0
  Te  Te3  1  0.0  0.0  0.54  1.0
  P  P1  1  0.0  0.0  0.64  1.0
  Os  Os0  1  0.0  0.52  0.2  1.0

data_Te2POs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   5.03
_cell_length_c   6.45
_cell_angle_alpha   112.97
_cell_angle_beta   104.04
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2POs
_chemical_formula_sum   'Te2 P1 Os1'
_cell_volume   90.18
_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  Te0  1  0.0  0.08  0.51  1.0
  Te  Te1  1  0.0  0.54  0.54  1.0
  P  P2  1  0.0  0.64  0.64  1.0
  Os  Os3  1  0.48  0.68  0.68  1.0

Te Te P Os