data_BaCoOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.73
_cell_length_b   5.73
_cell_length_c   5.73
_cell_angle_alpha   146.56
_cell_angle_beta   120.38
_cell_angle_gamma   70.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoOs2
_chemical_formula_sum   'Ba1 Co1 Os2'
_cell_volume   87.88
_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  0.65  0.0  0.65  1.0
  Co  Co1  1  0.0  0.0  0.7  1.0
  Os  Os2  1  0.65  0.0  0.05  1.0
  Os  Os3  1  0.0  0.0  0.66  1.0

data_BaCoOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.29
_cell_length_b   5.69
_cell_length_c   5.73
_cell_angle_alpha   119.81
_cell_angle_beta   106.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCoOs2
_chemical_formula_sum   'Ba1 Co1 Os2'
_cell_volume   87.88
_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  1.0  0.35  1.0  1.0
  Co  Co1  1  0.3  0.3  0.3  1.0
  Os  Os2  1  0.34  0.34  0.34  1.0
  Os  Os3  1  0.59  0.95  0.59  1.0

Ba Co Os Os