data_Pa3As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.28
_cell_length_b   6.28
_cell_length_c   5.22
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Pa3As
_chemical_formula_sum   'Pa6 As2'
_cell_volume   178.31
_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  Pa2  1  0.0  0.83  0.92  1.0
  Pa  Pa3  1  0.55  0.52  0.92  1.0
  Pa  Pa4  1  0.45  0.52  0.92  1.0
  Pa  Pa5  1  0.14  0.61  0.31  1.0
  Pa  Pa6  1  0.59  0.92  0.31  1.0
  Pa  Pa7  1  0.69  0.92  0.31  1.0
  As  As0  1  0.0  0.63  0.31  1.0
  As  As1  1  0.14  0.81  0.92  1.0

data_Pa3As
_symmetry_space_group_name_H-M   P-1
_cell_length_a   5.22
_cell_length_b   6.28
_cell_length_c   6.28
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   Pa3As
_chemical_formula_sum   'Pa6 As2'
_cell_volume   178.31
_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
  Pa  Pa0  2  0.19  0.07  0.39  1.0
  Pa  Pa1  2  0.19  0.52  0.7  1.0
  Pa  Pa2  2  0.19  0.62  0.7  1.0
  As  As3  2  0.19  0.93  0.41  1.0

Pa Pa Pa Pa Pa Pa As As