data_Te2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.97
_cell_length_b   4.97
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2AsOs
_chemical_formula_sum   'Te2 As1 Os1'
_cell_volume   81.15
_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  0.49  0.0  0.64  1.0
  Te  Te3  1  0.0  0.49  0.64  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.49  0.49  0.0  1.0

data_Te2AsOs
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.03
_cell_length_b   7.03
_cell_length_c   3.28
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te2AsOs
_chemical_formula_sum   'Te4 As2 Os2'
_cell_volume   162.3
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  4  0.24  0.24  0.64  1.0
  As  As1  2  0.0  0.0  0.0  1.0
  Os  Os2  2  0.49  0.0  0.0  1.0

Te Te As Os
Te Te As Os 0 2 o o o 0 2 o o + 0 2 + o o 0 2 + o + 0 1 o o o 0 3 o - o 0 3 o - + 0 3 o o o 0 3 o o + 0 0 o o + 1 3 - o o 1 3 - o + 1 3 o o o 1 3 o o + 1 2 o o o 1 2 o o + 1 2 o + o 1 2 o + + 1 1 o o + 2 2 o o + 2 3 o o o 3 3 o o + 