data_InCo2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.76
_cell_length_b   3.57
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCo2Os
_chemical_formula_sum   'In1 Co2 Os1'
_cell_volume   55.5
_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  0.0  1.0
  Co  Co0  1  0.38  0.79  0.04  1.0
  Co  Co1  1  0.38  0.79  0.6  1.0
  Os  Os3  1  0.0  0.0  0.82  1.0

data_InCo2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.76
_cell_length_b   3.57
_cell_length_c   5.64
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InCo2Os
_chemical_formula_sum   'In1 Co2 Os1'
_cell_volume   55.5
_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
  Co  Co1  1  0.38  0.79  0.04  1.0
  Co  Co2  1  0.38  0.79  0.6  1.0
  Os  Os3  1  0.0  0.0  0.82  1.0

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