data_BaAsOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.41
_cell_length_b   6.41
_cell_length_c   6.41
_cell_angle_alpha   39.35
_cell_angle_beta   39.35
_cell_angle_gamma   39.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaAsOs2
_chemical_formula_sum   'Ba1 As1 Os2'
_cell_volume   95.35
_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  Ba1  1  0.0  0.0  0.25  1.0
  As  As0  1  0.0  0.0  0.63  1.0
  Os  Os2  1  0.0  0.0  0.69  1.0
  Os  Os3  1  0.0  0.0  0.73  1.0

data_BaAsOs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   7.48
_cell_length_b   4.32
_cell_length_c   6.41
_cell_angle_alpha   90.0
_cell_angle_beta   112.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaAsOs2
_chemical_formula_sum   'Ba2 As2 Os4'
_cell_volume   190.7
_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  0.75  1.0
  As  As1  2  0.0  0.0  0.37  1.0
  Os  Os2  2  0.0  0.0  0.27  1.0
  Os  Os3  2  0.0  0.0  0.31  1.0

Ba As Os Os
Ba As Os Os 0 2 o o o 0 1 o o o 1 2 o o o 2 3 o o o 