data_ZrP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.64
_cell_length_b   4.64
_cell_length_c   4.7
_cell_angle_alpha   103.85
_cell_angle_beta   103.85
_cell_angle_gamma   39.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrP2Os
_chemical_formula_sum   'Zr1 P2 Os1'
_cell_volume   62.43
_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  0.72  0.0  0.52  1.0
  P  P1  1  0.04  0.0  0.22  1.0
  P  P2  1  0.29  0.0  0.41  1.0
  Os  Os0  1  0.26  0.0  0.68  1.0

data_ZrP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.14
_cell_length_b   4.64
_cell_length_c   4.7
_cell_angle_alpha   103.85
_cell_angle_beta   90.0
_cell_angle_gamma   109.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrP2Os
_chemical_formula_sum   'Zr1 P2 Os1'
_cell_volume   62.43
_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  0.28  0.48  1.0
  P  P1  1  0.0  0.71  0.59  1.0
  P  P2  1  0.0  0.96  0.78  1.0
  Os  Os3  1  0.0  0.74  0.32  1.0

Zr P P Os