data_BaCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.3
_cell_length_b   6.3
_cell_length_c   6.3
_cell_angle_alpha   39.81
_cell_angle_beta   39.81
_cell_angle_gamma   39.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoOs2
_chemical_formula_sum   'Ba1 Co1 Os2'
_cell_volume   92.46
_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
  Ba  Ba0  1  0.0  0.0  0.71  1.0
  Co  Co1  1  0.0  0.0  0.52  1.0
  Os  Os2  1  0.0  0.0  0.38  1.0
  Os  Os3  1  0.0  0.0  0.96  1.0

data_BaCoOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.43
_cell_length_b   4.29
_cell_length_c   6.3
_cell_angle_alpha   90.0
_cell_angle_beta   113.15
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCoOs2
_chemical_formula_sum   'Ba2 Co2 Os4'
_cell_volume   184.91
_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
  Ba  Ba0  2  0.0  0.0  0.29  1.0
  Co  Co1  2  0.0  0.0  0.48  1.0
  Os  Os2  2  0.0  0.0  0.04  1.0
  Os  Os3  2  0.0  0.0  0.62  1.0

Ba Co Os Os
Ba Co Os Os 0 1 o o o 0 3 o o o 1 2 o o o 