data_YP2Ru
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.47
_cell_length_b   6.47
_cell_length_c   6.47
_cell_angle_alpha   149.21
_cell_angle_beta   149.14
_cell_angle_gamma   44.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Ru
_chemical_formula_sum   'Y1 P2 Ru1'
_cell_volume   70.88
_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  0.53  1.0
  P  P0  1  0.0  0.72  0.71  1.0
  P  P1  1  0.0  0.0  0.16  1.0
  Ru  Ru2  1  0.0  0.72  0.59  1.0

data_YP2Ru
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.43
_cell_length_b   3.44
_cell_length_c   6.47
_cell_angle_alpha   105.43
_cell_angle_beta   105.4
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YP2Ru
_chemical_formula_sum   'Y1 P2 Ru1'
_cell_volume   70.88
_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  0.53  0.53  1.0
  P  P1  1  0.0  0.16  0.16  1.0
  P  P2  1  0.28  0.99  0.99  1.0
  Ru  Ru3  1  0.28  0.86  0.86  1.0

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