data_MgPt5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.26
_cell_length_b   5.26
_cell_length_c   4.5
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPt5
_chemical_formula_sum   'Mg1 Pt5'
_cell_volume   107.91
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.32  0.28  0.25  1.0
  Pt  Pt2  1  0.63  0.52  0.0  1.0
  Pt  Pt3  1  0.68  0.28  0.25  1.0
  Pt  Pt4  1  0.63  0.0  0.25  1.0
  Pt  Pt5  1  0.0  0.04  0.0  1.0

data_MgPt5
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.5
_cell_length_b   5.26
_cell_length_c   5.26
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPt5
_chemical_formula_sum   'Mg1 Pt5'
_cell_volume   107.91
_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  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.0  0.04  1.0
  Pt  Pt2  1  0.0  0.63  0.52  1.0
  Pt  Pt3  1  0.25  0.32  0.28  1.0
  Pt  Pt4  1  0.25  0.63  0.0  1.0
  Pt  Pt5  1  0.25  0.68  0.28  1.0

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