data_BaZn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.08
_cell_length_b   6.08
_cell_length_c   6.08
_cell_angle_alpha   151.56
_cell_angle_beta   127.96
_cell_angle_gamma   60.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Os
_chemical_formula_sum   'Ba1 Zn2 Os1'
_cell_volume   83.59
_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  0.13  1.0
  Zn  Zn2  1  0.0  0.0  0.17  1.0
  Zn  Zn3  1  0.0  0.67  0.96  1.0
  Os  Os1  1  0.49  0.0  0.25  1.0

data_BaZn2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   5.33
_cell_length_c   6.08
_cell_angle_alpha   116.02
_cell_angle_beta   104.22
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZn2Os
_chemical_formula_sum   'Ba1 Zn2 Os1'
_cell_volume   83.59
_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  0.87  0.87  0.87  1.0
  Zn  Zn1  1  0.04  0.7  0.7  1.0
  Zn  Zn2  1  0.83  0.83  0.83  1.0
  Os  Os3  1  0.25  0.75  0.25  1.0

Ba Zn Zn Os