data_ZrAgOs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92
_cell_length_b   4.92
_cell_length_c   4.93
_cell_angle_alpha   101.58
_cell_angle_beta   101.58
_cell_angle_gamma   35.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgOs2
_chemical_formula_sum   'Zr1 Ag1 Os2'
_cell_volume   67.14
_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
  Ag  Ag0  1  0.17  0.0  0.41  1.0
  Os  Os1  1  0.62  0.0  0.55  1.0
  Os  Os2  1  0.73  0.0  0.28  1.0

data_ZrAgOs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.97
_cell_length_b   4.92
_cell_length_c   4.93
_cell_angle_alpha   101.58
_cell_angle_beta   90.0
_cell_angle_gamma   107.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAgOs2
_chemical_formula_sum   'Zr1 Ag1 Os2'
_cell_volume   67.14
_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
  Ag  Ag1  1  0.0  0.83  0.59  1.0
  Os  Os2  1  0.0  0.27  0.72  1.0
  Os  Os3  1  0.0  0.38  0.45  1.0

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