data_InGeOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.06
_cell_length_b   4.32
_cell_length_c   5.01
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InGeOs2
_chemical_formula_sum   'In1 Ge1 Os2'
_cell_volume   66.15
_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
  In  In1  1  0.53  0.0  0.5  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.53  0.16  0.0  1.0
  Os  Os3  1  0.0  0.16  0.5  1.0

data_InGeOs2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.06
_cell_length_b   5.01
_cell_length_c   4.32
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   InGeOs2
_chemical_formula_sum   'In1 Ge1 Os2'
_cell_volume   66.15
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.53  0.0  0.0  1.0
  Ge  Ge1  1  0.0  0.5  0.0  1.0
  Os  Os2  1  0.0  0.0  0.16  1.0
  Os  Os3  1  0.53  0.5  0.16  1.0

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