data_MnPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.66
_cell_length_b   4.66
_cell_length_c   4.66
_cell_angle_alpha   50.97
_cell_angle_beta   50.97
_cell_angle_gamma   50.97
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPt
_chemical_formula_sum   'Mn2 Pt2'
_cell_volume   56.28
_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  0.0  0.0  1.0  1.0
  Mn  Mn1  1  0.0  0.0  0.13  1.0
  Pt  Pt2  1  0.0  0.0  0.33  1.0
  Pt  Pt3  1  0.0  0.0  0.8  1.0

data_MnPt
_symmetry_space_group_name_H-M   C2/m
_cell_length_a   6.94
_cell_length_b   4.01
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   119.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   12
_chemical_formula_structural   MnPt
_chemical_formula_sum   'Mn4 Pt4'
_cell_volume   112.55
_cell_formula_units_Z   4
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-x, -y, -z'
  3  '-x, y, -z'
  4  'x, -y, z'
  5  'x+1/2, y+1/2, z'
  6  '-x+1/2, -y+1/2, -z'
  7  '-x+1/2, y+1/2, -z'
  8  'x+1/2, -y+1/2, 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  4  0.0  0.0  0.07  1.0
  Pt  Pt1  4  0.0  0.0  0.26  1.0

Mn Mn Pt Pt
Mn Mn Pt Pt 0 1 o o + 0 3 o o o 1 2 o o o 