data_YOsPd2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YOsPd2
_chemical_formula_sum   'Y1 Os1 Pd2'
_cell_volume   70.5
_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  0.86  1.0
  Os  Os0  1  0.11  0.0  0.76  1.0
  Pd  Pd1  1  0.0  0.0  0.07  1.0
  Pd  Pd2  1  0.11  0.0  0.98  1.0

data_YOsPd2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.01
_cell_length_b   3.01
_cell_length_c   7.78
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   YOsPd2
_chemical_formula_sum   'Y1 Os1 Pd2'
_cell_volume   70.51
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.86  1.0
  Pd  Pd1  1  0.0  0.0  0.07  1.0
  Os  Os2  1  0.11  0.0  0.76  1.0
  Pd  Pd3  1  0.11  0.0  0.98  1.0

Y Os Pd Pd
Y Os Pd Pd 0 1 o o o 0 3 o o o 2 3 o o - 