data_InTe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   5.02
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Os
_chemical_formula_sum   'In1 Te2 Os1'
_cell_volume   89.76
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te2  1  0.74  0.51  0.0  1.0
  Te  Te3  1  0.0  0.51  0.57  1.0
  Os  Os1  1  0.74  0.0  0.57  1.0

data_InTe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.02
_cell_length_c   5.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InTe2Os
_chemical_formula_sum   'In1 Te2 Os1'
_cell_volume   89.76
_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
  In  In0  1  0.0  0.0  0.0  1.0
  Te  Te1  1  0.0  0.51  0.57  1.0
  Te  Te2  1  0.74  0.51  0.0  1.0
  Os  Os3  1  0.74  0.0  0.57  1.0

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