data_Te2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   3.97
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2AsOs
_chemical_formula_sum   'Te2 As1 Os1'
_cell_volume   95.16
_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  0.7  0.98  0.01  1.0
  Te  Te3  1  0.08  0.98  0.37  1.0
  As  As0  1  0.0  0.0  0.0  1.0
  Os  Os1  1  0.96  0.0  0.19  1.0

data_Te2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   3.97
_cell_length_c   8.38
_cell_angle_alpha   90.0
_cell_angle_beta   90.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2AsOs
_chemical_formula_sum   'Te2 As1 Os1'
_cell_volume   95.16
_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  0.08  0.98  0.37  1.0
  Te  Te1  1  0.7  0.98  0.01  1.0
  As  As2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.96  0.0  0.19  1.0

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