data_Mg5Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   6.86
_cell_angle_alpha   107.9
_cell_angle_beta   107.9
_cell_angle_gamma   36.74
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Pt
_chemical_formula_sum   'Mg5 Pt1'
_cell_volume   119.25
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.38  0.0  0.2  1.0
  Mg  Mg1  1  0.34  0.0  0.28  1.0
  Mg  Mg2  1  0.45  0.0  0.44  1.0
  Mg  Mg3  1  0.08  0.0  0.83  1.0
  Mg  Mg4  1  0.9  0.0  0.77  1.0
  Pt  Pt5  1  0.35  0.0  0.86  1.0

data_Mg5Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.49
_cell_length_b   5.54
_cell_length_c   6.86
_cell_angle_alpha   107.9
_cell_angle_beta   90.0
_cell_angle_gamma   108.37
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg5Pt
_chemical_formula_sum   'Mg5 Pt1'
_cell_volume   119.25
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.0  0.1  0.23  1.0
  Mg  Mg1  1  0.0  0.55  0.56  1.0
  Mg  Mg2  1  0.0  0.62  0.8  1.0
  Mg  Mg3  1  0.0  0.66  0.72  1.0
  Mg  Mg4  1  0.0  0.92  0.17  1.0
  Pt  Pt5  1  0.0  0.65  0.14  1.0

Mg Mg Mg Mg Mg Pt
Mg Mg Mg Mg Mg Pt 0 1 o o o 1 2 o o o 3 4 - o o 3 5 o o o 