data_[Mn1Pb5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.7750]
_cell_length_b [5.8608]
_cell_length_c [5.8620]
_cell_angle_alpha [72.3035]
_cell_angle_beta [70.8423]
_cell_angle_gamma [73.4540]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MnPb5]
_chemical_formula_sum '[Mn1 Pb5]'
_cell_volume [174.7358]
_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  0.5848  0.7563  0.4922  1
  Pb  Pb1  1  0.1151  1.0000  0.8455  1
  Pb  Pb2  1  0.1165  0.6574  0.4703  1
  Pb  Pb3  1  0.3401  0.2029  0.1679  1
  Pb  Pb4  1  0.6638  0.6609  0.9949  1
  Pb  Pb5  1  0.6797  0.2226  0.5292  1
]