data_CaSbOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.28
_cell_angle_alpha   111.51
_cell_angle_beta   111.51
_cell_angle_gamma   32.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSbOs2
_chemical_formula_sum   'Ca1 Sb1 Os2'
_cell_volume   79.82
_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  0.38  0.0  0.31  1.0
  Sb  Sb3  1  0.59  0.0  0.62  1.0
  Os  Os1  1  0.52  0.0  0.34  1.0
  Os  Os2  1  0.14  0.0  0.93  1.0

data_CaSbOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.28
_cell_length_c   5.55
_cell_angle_alpha   111.51
_cell_angle_beta   106.03
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSbOs2
_chemical_formula_sum   'Ca1 Sb1 Os2'
_cell_volume   79.82
_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  0.31  0.38  1.0
  Sb  Sb1  1  0.0  0.62  0.59  1.0
  Os  Os2  1  0.0  0.34  0.52  1.0
  Os  Os3  1  0.0  0.93  0.14  1.0

Ca Sb Os Os
Ca Sb Os Os 0 2 o o o 0 1 o o o 0 3 o o - 1 2 o o o 