data_MnPtPb2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.65
_cell_length_b   4.65
_cell_length_c   6.4
_cell_angle_alpha   101.26
_cell_angle_beta   101.26
_cell_angle_gamma   44.88
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPtPb2
_chemical_formula_sum   'Mn1 Pt1 Pb2'
_cell_volume   95.17
_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
  Mn  Mn0  1  0.07  0.0  0.34  1.0
  Pt  Pt3  1  0.64  0.0  0.5  1.0
  Pb  Pb1  1  0.22  0.0  0.81  1.0
  Pb  Pb2  1  0.16  0.0  0.98  1.0

data_MnPtPb2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.55
_cell_length_b   4.65
_cell_length_c   6.4
_cell_angle_alpha   101.26
_cell_angle_beta   90.0
_cell_angle_gamma   112.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnPtPb2
_chemical_formula_sum   'Mn1 Pt1 Pb2'
_cell_volume   95.17
_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
  Mn  Mn0  1  0.0  0.93  0.66  1.0
  Pt  Pt1  1  0.0  0.36  0.5  1.0
  Pb  Pb2  1  0.0  0.78  0.19  1.0
  Pb  Pb3  1  0.0  0.84  0.02  1.0

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