data_CaBiOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17
_cell_length_b   5.17
_cell_length_c   5.35
_cell_angle_alpha   104.95
_cell_angle_beta   104.95
_cell_angle_gamma   37.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiOs2
_chemical_formula_sum   'Ca1 Bi1 Os2'
_cell_volume   83.15
_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
  Ca  Ca1  1  0.0  0.0  0.0  1.0
  Bi  Bi0  1  0.17  0.0  0.57  1.0
  Os  Os2  1  0.33  0.0  0.54  1.0
  Os  Os3  1  0.01  0.0  0.61  1.0

data_CaBiOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.3
_cell_length_b   5.17
_cell_length_c   5.35
_cell_angle_alpha   104.95
_cell_angle_beta   90.0
_cell_angle_gamma   108.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaBiOs2
_chemical_formula_sum   'Ca1 Bi1 Os2'
_cell_volume   83.15
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  Bi  Bi1  1  0.0  0.83  0.43  1.0
  Os  Os2  1  0.0  0.67  0.46  1.0
  Os  Os3  1  0.0  0.99  0.39  1.0

Ca Bi Os Os