data_Te2AsOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.48
_cell_length_b   4.35
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2AsOs
_chemical_formula_sum   'Te2 As1 Os1'
_cell_volume   87.67
_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  0.15  0.0  0.26  1.0
  Te  Te3  1  0.16  0.17  0.21  1.0
  As  As0  1  0.73  0.0  0.93  1.0
  Os  Os1  1  0.79  0.17  0.36  1.0

data_Te2AsOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.35
_cell_length_b   4.48
_cell_length_c   4.77
_cell_angle_alpha   109.21
_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   87.67
_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  0.85  0.74  1.0
  Te  Te1  1  0.83  0.84  0.79  1.0
  As  As2  1  0.0  0.27  0.07  1.0
  Os  Os3  1  0.83  0.21  0.64  1.0

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