data_MnPt2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPt2
_chemical_formula_sum   'Mn4 Pt8'
_cell_volume   195.97
_cell_formula_units_Z   4
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  0.97  0.07  1.0
  Mn  Mn1  1  0.0  0.97  0.22  1.0
  Mn  Mn2  1  0.57  0.48  0.36  1.0
  Mn  Mn3  1  0.57  0.48  0.51  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.29  1.0
  Pt  Pt6  1  0.0  0.51  0.43  1.0
  Pt  Pt7  1  0.74  0.69  0.43  1.0
  Pt  Pt8  1  0.31  0.76  0.14  1.0
  Pt  Pt9  1  0.26  0.69  0.43  1.0
  Pt  Pt10  1  0.83  0.76  0.14  1.0
  Pt  Pt11  1  0.57  0.94  0.14  1.0

data_MnPt2
_symmetry_space_group_name_H-M   P1
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   8.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPt2
_chemical_formula_sum   'Mn4 Pt8'
_cell_volume   195.97
_cell_formula_units_Z   4
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  0.97  0.07  1.0
  Mn  Mn1  1  0.0  0.97  0.22  1.0
  Mn  Mn2  1  0.57  0.48  0.36  1.0
  Mn  Mn3  1  0.57  0.48  0.51  1.0
  Pt  Pt4  1  0.0  0.0  0.0  1.0
  Pt  Pt5  1  0.0  0.0  0.29  1.0
  Pt  Pt6  1  0.0  0.51  0.43  1.0
  Pt  Pt7  1  0.26  0.69  0.43  1.0
  Pt  Pt8  1  0.31  0.76  0.14  1.0
  Pt  Pt9  1  0.57  0.94  0.14  1.0
  Pt  Pt10  1  0.74  0.69  0.43  1.0
  Pt  Pt11  1  0.83  0.76  0.14  1.0

Mn Mn Mn Mn Pt Pt Pt Pt Pt Pt Pt Pt