data_InCu2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Os
_chemical_formula_sum   'In1 Cu2 Os1'
_cell_volume   61.3
_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  In2  1  0.0  0.0  0.48  1.0
  Cu  Cu0  1  0.0  0.0  0.8  1.0
  Cu  Cu1  1  0.47  0.0  0.82  1.0
  Os  Os3  1  0.47  0.0  0.05  1.0

data_InCu2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.77
_cell_length_b   2.77
_cell_length_c   8.86
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   115.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCu2Os
_chemical_formula_sum   'In1 Cu2 Os1'
_cell_volume   61.3
_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  0.48  1.0
  Cu  Cu1  1  0.0  0.0  0.8  1.0
  Cu  Cu2  1  0.47  0.0  0.82  1.0
  Os  Os3  1  0.47  0.0  0.05  1.0

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