data_ZrZn2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.39
_cell_length_b   9.39
_cell_length_c   9.39
_cell_angle_alpha   17.64
_cell_angle_beta   17.64
_cell_angle_gamma   17.64
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrZn2Os
_chemical_formula_sum   'Zr1 Zn2 Os1'
_cell_volume   66.27
_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  0.9  1.0
  Zn  Zn1  1  0.0  0.0  0.67  1.0
  Zn  Zn2  1  0.0  0.0  0.64  1.0
  Os  Os0  1  0.0  0.0  0.08  1.0

data_ZrZn2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.98
_cell_length_b   2.88
_cell_length_c   9.39
_cell_angle_alpha   90.0
_cell_angle_beta   100.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ZrZn2Os
_chemical_formula_sum   'Zr2 Zn4 Os2'
_cell_volume   132.54
_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
  Zr  Zr0  2  0.0  0.0  0.1  1.0
  Zn  Zn1  2  0.0  0.0  0.33  1.0
  Zn  Zn2  2  0.0  0.0  0.36  1.0
  Os  Os3  2  0.0  0.0  0.92  1.0

Zr Zn Zn Os