data_MgPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.93
_cell_length_b   4.83
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgPt
_chemical_formula_sum   'Mg2 Pt2'
_cell_volume   65.82
_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
  Mg  Mg0  1  0.0  0.0  0.91  1.0
  Mg  Mg1  1  0.46  0.42  0.75  1.0
  Pt  Pt2  1  0.0  0.42  0.06  1.0
  Pt  Pt3  1  0.46  0.0  0.59  1.0

data_MgPt
_symmetry_space_group_name_H-M   P-1
_cell_length_a   2.93
_cell_length_b   4.66
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MgPt
_chemical_formula_sum   'Mg2 Pt2'
_cell_volume   65.82
_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
  Mg  Mg0  2  0.27  0.08  0.29  1.0
  Pt  Pt1  2  0.27  0.23  0.71  1.0

Mg Mg Pt Pt
Mg Mg Pt Pt 0 3 - o o 0 3 o o o 0 2 o o + 1 2 o o + 1 2 + o + 1 3 o o o 