data_PrMgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.62
_cell_length_b   7.62
_cell_length_c   4.16
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrMgPt
_chemical_formula_sum   'Pr3 Mg3 Pt3'
_cell_volume   209.27
_cell_formula_units_Z   3
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  0.57  0.72  0.0  1.0
  Pr  Pr1  1  0.48  0.0  0.0  1.0
  Pr  Pr2  1  0.76  0.88  0.0  1.0
  Mg  Mg3  1  0.09  0.58  0.08  1.0
  Mg  Mg4  1  0.9  0.02  0.08  1.0
  Mg  Mg5  1  0.83  0.0  0.08  1.0
  Pt  Pt6  1  0.0  0.0  0.0  1.0
  Pt  Pt7  1  0.81  0.2  0.08  1.0
  Pt  Pt8  1  0.0  0.4  0.08  1.0

data_PrMgPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.16
_cell_length_b   7.62
_cell_length_c   7.62
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrMgPt
_chemical_formula_sum   'Pr3 Mg3 Pt3'
_cell_volume   209.27
_cell_formula_units_Z   3
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  -0.0  0.76  0.88  1.0
  Pr  Pr1  1  -0.0  0.57  0.72  1.0
  Pr  Pr2  1  0.0  0.48  0.0  1.0
  Mg  Mg3  1  0.08  0.09  0.58  1.0
  Mg  Mg4  1  0.08  0.83  0.0  1.0
  Mg  Mg5  1  0.08  0.9  0.02  1.0
  Pt  Pt6  1  0.0  0.0  0.0  1.0
  Pt  Pt7  1  0.08  -0.0  0.4  1.0
  Pt  Pt8  1  0.08  0.81  0.2  1.0

Pr Pr Pr Mg Mg Mg Pt Pt Pt
Pr Pr Pr Mg Mg Mg Pt Pt Pt 0 2 o o o 0 1 o + o 1 2 o - o 1 7 o o o 1 5 o o o 2 5 o + o 3 8 o o o 4 5 o o o 4 6 + o o 4 7 o o o 5 7 o o o 7 8 + o o 