data_CrP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55
_cell_length_b   4.55
_cell_length_c   4.55
_cell_angle_alpha   131.75
_cell_angle_beta   131.75
_cell_angle_gamma   70.63
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrP2Os
_chemical_formula_sum   'Cr1 P2 Os1'
_cell_volume   51.2
_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
  Cr  Cr0  1  0.0  0.0  0.71  1.0
  P  P2  1  0.0  0.0  0.0  1.0
  P  P3  1  0.86  0.0  0.85  1.0
  Os  Os1  1  0.0  0.86  0.85  1.0

data_CrP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.72
_cell_length_c   4.55
_cell_angle_alpha   114.13
_cell_angle_beta   114.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrP2Os
_chemical_formula_sum   'Cr1 P2 Os1'
_cell_volume   51.2
_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
  Cr  Cr0  1  0.29  0.0  0.29  1.0
  P  P1  1  0.0  0.0  0.0  1.0
  P  P2  1  0.15  0.0  0.0  1.0
  Os  Os3  1  0.0  0.86  0.0  1.0

Cr P P Os
Cr P P Os 0 2 - o o 0 3 o - o 0 1 o o + 1 2 - o - 1 3 o - - 