data_Ca2SbOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.42
_cell_length_b   5.42
_cell_length_c   5.42
_cell_angle_alpha   131.37
_cell_angle_beta   129.79
_cell_angle_gamma   72.49
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbOs
_chemical_formula_sum   'Ca2 Sb1 Os1'
_cell_volume   89.69
_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  0.23  0.0  0.22  1.0
  Ca  Ca1  1  0.0  0.3  0.15  1.0
  Sb  Sb3  1  0.0  0.0  0.0  1.0
  Os  Os2  1  0.0  0.0  0.37  1.0

data_Ca2SbOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.46
_cell_length_b   4.6
_cell_length_c   5.42
_cell_angle_alpha   115.11
_cell_angle_beta   114.31
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SbOs
_chemical_formula_sum   'Ca2 Sb1 Os1'
_cell_volume   89.69
_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  0.22  0.99  1.0
  Ca  Ca1  1  0.7  0.85  0.85  1.0
  Sb  Sb2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.37  0.37  1.0

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