data_PrAsSe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   18.24
_cell_length_b   4.02
_cell_length_c   4.11
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrAsSe
_chemical_formula_sum   'Pr4 As4 Se4'
_cell_volume   301.32
_cell_formula_units_Z   4
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
  Pr  Pr0  1  0.67  0.02  0.99  1.0
  Pr  Pr1  1  0.58  0.01  0.12  1.0
  Pr  Pr2  1  0.54  0.02  0.17  1.0
  Pr  Pr3  1  0.7  0.01  0.94  1.0
  As  As4  1  0.19  0.01  0.87  1.0
  As  As5  1  0.05  0.02  0.23  1.0
  As  As6  1  0.07  0.01  0.29  1.0
  As  As7  1  0.17  0.02  0.82  1.0
  Se  Se8  1  0.83  0.02  1.0  1.0
  Se  Se9  1  0.41  0.01  0.11  1.0
  Se  Se10  1  0.71  0.02  0.16  1.0
  Se  Se11  1  0.53  0.01  0.95  1.0

data_PrAsSe
_symmetry_space_group_name_H-M   P2/m
_cell_length_a   4.11
_cell_length_b   4.02
_cell_length_c   18.24
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   10
_chemical_formula_structural   PrAsSe
_chemical_formula_sum   'Pr4 As4 Se4'
_cell_volume   301.32
_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'
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
  Pr  Pr0  2  0.06  0.5  0.46  1.0
  Pr  Pr1  2  0.12  0.5  0.42  1.0
  As  As2  2  0.18  0.5  0.93  1.0
  As  As3  2  0.23  0.5  0.95  1.0
  Se  Se4  2  0.05  0.5  0.29  1.0
  Se  Se5  2  0.11  0.5  0.59  1.0

Pr Pr Pr Pr As As As As Se Se Se Se
Pr Pr Pr Pr As As As As Se Se Se Se 0 3 o o o 0 10 o o + 1 2 o o o 1 11 o o - 2 9 o o o 2 11 o o - 3 8 o o o 3 10 o o + 4 7 o o o 5 6 o o o 8 10 o o + 9 11 o o - 