data_CaInOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.85
_cell_length_b   9.85
_cell_length_c   9.85
_cell_angle_alpha   17.47
_cell_angle_beta   17.47
_cell_angle_gamma   17.47
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInOs2
_chemical_formula_sum   'Ca1 In1 Os2'
_cell_volume   75.19
_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
  Ca  Ca0  1  0.0  0.0  0.74  1.0
  In  In1  1  0.0  0.0  0.57  1.0
  Os  Os2  1  0.0  0.0  0.91  1.0
  Os  Os3  1  0.0  0.0  0.52  1.0

data_CaInOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.18
_cell_length_b   2.99
_cell_length_c   9.85
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaInOs2
_chemical_formula_sum   'Ca2 In2 Os4'
_cell_volume   150.39
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ca  Ca0  2  0.0  0.0  0.26  1.0
  In  In1  2  0.0  0.0  0.43  1.0
  Os  Os2  2  0.0  0.0  0.09  1.0
  Os  Os3  2  0.0  0.0  0.48  1.0

Ca In Os Os