data_MnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.86
_cell_length_b   4.86
_cell_length_c   4.53
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   59.11
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPt2
_chemical_formula_sum   'Mn2 Pt4'
_cell_volume   91.78
_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
  Mn  Mn0  1  0.23  0.52  0.13  1.0
  Mn  Mn1  1  0.23  0.48  0.4  1.0
  Pt  Pt2  1  0.62  0.18  0.13  1.0
  Pt  Pt3  1  0.83  0.82  0.4  1.0
  Pt  Pt4  1  0.83  0.18  0.13  1.0
  Pt  Pt5  1  0.62  0.82  0.4  1.0

data_MnPt2
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.53
_cell_length_b   4.79
_cell_length_c   4.86
_cell_angle_alpha   119.55
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   MnPt2
_chemical_formula_sum   'Mn2 Pt4'
_cell_volume   91.78
_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
  Mn  Mn0  2  0.37  0.52  0.02  1.0
  Pt  Pt1  2  0.37  0.18  0.08  1.0
  Pt  Pt2  2  0.37  0.18  0.28  1.0

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