data_InOsCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.43
_cell_length_b   4.43
_cell_length_c   3.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InOsCl
_chemical_formula_sum   'In1 Os1 Cl1'
_cell_volume   53.25
_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  0.0  0.56  0.57  1.0
  Os  Os2  1  0.21  0.28  0.0  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_InOsCl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.43
_cell_length_c   4.43
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   InOsCl
_chemical_formula_sum   'In1 Os1 Cl1'
_cell_volume   53.25
_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  0.57  0.0  0.56  1.0
  Os  Os1  1  0.0  0.21  0.28  1.0
  Cl  Cl2  1  0.0  0.0  0.0  1.0

In Os Cl
In Os Cl 0 2 o + o 0 2 o + + 0 2 o o + 0 1 o o o 0 1 o o + 1 2 o o o 