data_NaZr2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.09
_cell_length_b   10.09
_cell_length_c   10.09
_cell_angle_alpha   19.26
_cell_angle_beta   19.26
_cell_angle_gamma   19.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NaZr2Os
_chemical_formula_sum   'Na1 Zr2 Os1'
_cell_volume   97.65
_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
  Na  Na0  1  0.0  0.0  0.0  1.0
  Zr  Zr2  1  0.0  0.0  0.89  1.0
  Zr  Zr3  1  0.0  0.0  0.8  1.0
  Os  Os1  1  0.0  0.0  0.84  1.0

data_NaZr2Os
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.85
_cell_length_b   3.38
_cell_length_c   10.09
_cell_angle_alpha   90.0
_cell_angle_beta   101.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   NaZr2Os
_chemical_formula_sum   'Na2 Zr4 Os2'
_cell_volume   195.3
_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
  Na  Na0  2  0.0  0.0  0.0  1.0
  Zr  Zr1  2  0.0  0.0  0.11  1.0
  Zr  Zr2  2  0.0  0.0  0.2  1.0
  Os  Os3  2  0.0  0.0  0.16  1.0

Na Zr Zr Os
Na Zr Zr Os 0 1 o o - 1 3 o o o 2 3 o o o 