data_PrFeSi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.75
_cell_length_b   8.75
_cell_length_c   4.03
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   152.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrFeSi2
_chemical_formula_sum   'Pr2 Fe2 Si4'
_cell_volume   141.3
_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
  Pr  Pr6  1  0.06  0.69  0.01  1.0
  Pr  Pr7  1  0.06  0.31  0.02  1.0
  Fe  Fe4  1  0.06  0.24  0.02  1.0
  Fe  Fe5  1  0.06  0.76  0.01  1.0
  Si  Si0  1  0.06  0.22  0.01  1.0
  Si  Si1  1  0.06  0.78  0.02  1.0
  Si  Si2  1  0.06  0.35  0.02  1.0
  Si  Si3  1  0.06  0.65  0.01  1.0

data_PrFeSi2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.03
_cell_length_b   4.12
_cell_length_c   8.75
_cell_angle_alpha   103.63
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   PrFeSi2
_chemical_formula_sum   'Pr2 Fe2 Si4'
_cell_volume   141.3
_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
  Pr  Pr0  2  0.01  0.69  0.69  1.0
  Fe  Fe1  2  0.01  0.76  0.76  1.0
  Si  Si2  2  0.01  0.22  0.22  1.0
  Si  Si3  2  0.01  0.65  0.65  1.0

Pr Pr Fe Fe Si Si Si Si
Pr Pr Fe Fe Si Si Si Si 0 7 o o o 1 6 o o o 2 4 o o o 3 5 o o o 