data_YP2Ir
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.8
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   132.7
_cell_angle_beta   107.78
_cell_angle_gamma   90.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Ir
_chemical_formula_sum   'Y1 P2 Ir1'
_cell_volume   73.53
_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
  Y  Y3  1  0.0  0.0  0.0  1.0
  P  P1  1  0.93  0.0  0.03  1.0
  P  P2  1  0.0  0.83  0.34  1.0
  Ir  Ir0  1  0.0  0.0  0.37  1.0

data_YP2Ir
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   4.8
_cell_length_c   4.8
_cell_angle_alpha   72.22
_cell_angle_beta   66.35
_cell_angle_gamma   66.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Ir
_chemical_formula_sum   'Y1 P2 Ir1'
_cell_volume   73.53
_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
  Y  Y0  1  0.0  0.0  0.0  1.0
  P  P1  1  -0.0  0.07  0.03  1.0
  P  P2  1  0.83  0.0  0.51  1.0
  Ir  Ir3  1  -0.0  0.0  0.37  1.0

Y P P Ir
Y P P Ir 0 1 - o o 2 3 o + o 