data_ZrAs2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.11
_cell_length_b   5.11
_cell_length_c   3.07
_cell_angle_alpha   102.7
_cell_angle_beta   102.7
_cell_angle_gamma   109.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAs2Os
_chemical_formula_sum   'Zr1 As2 Os1'
_cell_volume   70.15
_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
  As  As0  1  0.9  0.08  0.42  1.0
  As  As1  1  0.9  0.92  0.42  1.0
  Os  Os2  1  0.96  0.0  0.0  1.0

data_ZrAs2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.07
_cell_length_b   5.11
_cell_length_c   5.11
_cell_angle_alpha   109.06
_cell_angle_beta   102.7
_cell_angle_gamma   102.7
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAs2Os
_chemical_formula_sum   'Zr1 As2 Os1'
_cell_volume   70.15
_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
  As  As1  1  0.42  0.9  0.92  1.0
  As  As2  1  0.42  0.9  0.08  1.0
  Os  Os3  1  0.0  0.96  0.0  1.0

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