data_ZrGe2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   3.65
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   92.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Os
_chemical_formula_sum   'Zr1 Ge2 Os1'
_cell_volume   64.99
_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  0.0  0.0  0.0  1.0
  Ge  Ge0  1  0.45  0.47  0.82  1.0
  Ge  Ge1  1  0.45  0.53  0.82  1.0
  Os  Os2  1  0.91  0.0  0.0  1.0

data_ZrGe2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.65
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   92.91
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrGe2Os
_chemical_formula_sum   'Zr1 Ge2 Os1'
_cell_volume   64.99
_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  0.0  0.0  1.0
  Ge  Ge1  1  0.82  0.45  0.47  1.0
  Ge  Ge2  1  0.82  0.45  0.53  1.0
  Os  Os3  1  0.0  0.91  0.0  1.0

Zr Ge Ge Os