data_DyPa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   DyPa
_chemical_formula_sum   'Dy2 Pa2'
_cell_volume   150.45
_cell_formula_units_Z   2
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
  Dy  Dy0  1  0.66  0.54  0.59  1.0
  Dy  Dy1  1  0.0  0.08  0.53  1.0
  Pa  Pa2  1  0.66  0.54  0.53  1.0
  Pa  Pa3  1  0.0  0.08  0.59  1.0

data_DyPa
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   6.12
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   DyPa
_chemical_formula_sum   'Dy2 Pa2'
_cell_volume   150.45
_cell_formula_units_Z   2
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
  Dy  Dy0  2  0.33  0.23  0.53  1.0
  Pa  Pa1  2  0.33  0.23  0.47  1.0

Dy Dy Pa Pa