data_AsP2Os
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.18
_cell_length_b   4.18
_cell_length_c   5.47
_cell_angle_alpha   100.19
_cell_angle_beta   100.19
_cell_angle_gamma   49.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsP2Os
_chemical_formula_sum   'As1 P2 Os1'
_cell_volume   71.36
_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
  As  As0  1  0.13  0.0  0.39  1.0
  P  P2  1  0.3  0.0  0.5  1.0
  P  P3  1  0.75  0.0  0.36  1.0
  Os  Os1  1  0.61  0.0  0.81  1.0

data_AsP2Os
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.5
_cell_length_b   4.18
_cell_length_c   5.47
_cell_angle_alpha   100.19
_cell_angle_beta   90.0
_cell_angle_gamma   114.77
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AsP2Os
_chemical_formula_sum   'As1 P2 Os1'
_cell_volume   71.36
_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
  As  As0  1  0.0  0.87  0.61  1.0
  P  P1  1  0.0  0.25  0.64  1.0
  P  P2  1  0.0  0.7  0.5  1.0
  Os  Os3  1  0.0  0.39  0.19  1.0

As P P Os