data_ZrBOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.61
_cell_length_b   4.61
_cell_length_c   5.05
_cell_angle_alpha   118.05
_cell_angle_beta   118.05
_cell_angle_gamma   37.8
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBOs2
_chemical_formula_sum   'Zr1 B1 Os2'
_cell_volume   57.21
_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
  Zr  Zr3  1  0.56  0.0  0.21  1.0
  B  B0  1  0.03  0.0  0.12  1.0
  Os  Os1  1  0.06  0.0  0.76  1.0
  Os  Os2  1  0.9  0.0  0.88  1.0

data_ZrBOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.99
_cell_length_b   4.61
_cell_length_c   4.99
_cell_angle_alpha   63.35
_cell_angle_beta   72.57
_cell_angle_gamma   71.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrBOs2
_chemical_formula_sum   'Zr1 B1 Os2'
_cell_volume   57.21
_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
  Zr  Zr0  1  0.0  0.35  0.21  1.0
  B  B1  1  0.0  0.91  0.12  1.0
  Os  Os2  1  0.0  0.03  0.88  1.0
  Os  Os3  1  0.0  0.3  0.76  1.0

Zr B Os Os