data_Pa
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.21
_cell_length_b   3.21
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   121.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa
_chemical_formula_sum   Pa2
_cell_volume   49.54
_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
  Pa  Pa0  1  0.57  0.99  0.41  1.0
  Pa  Pa1  1  0.57  0.01  0.22  1.0

data_Pa
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   5.61
_cell_length_b   3.14
_cell_length_c   5.63
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   Pa
_chemical_formula_sum   Pa4
_cell_volume   99.09
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, -y, z'
  4  'x, y, -z'
  5  '-x, y, -z'
  6  'x, -y, z'
  7  'x, -y, -z'
  8  '-x, y, z'
  9  'x+1/2, y+1/2, z'
  10  '-x+1/2, -y+1/2, -z'
  11  '-x+1/2, -y+1/2, z'
  12  'x+1/2, y+1/2, -z'
  13  '-x+1/2, y+1/2, -z'
  14  'x+1/2, -y+1/2, z'
  15  'x+1/2, -y+1/2, -z'
  16  '-x+1/2, y+1/2, 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
  Pa  Pa0  4  0.0  0.0  0.41  1.0

Pa Pa