data_[Pa3Mn12Pb3S24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pa  1.5000  1.8000  1.0400
  Mn  1.5500  1.4000  0.6483
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [7.5351]
_cell_length_b [7.5351]
_cell_length_c [19.0348]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [PaMn4PbS8]
_chemical_formula_sum '[Pa3 Mn12 Pb3 S24]'
_cell_volume [935.9568]
_cell_formula_units_Z [3]
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
[
  Pa  Pa0  3  0.0000  0.0000  0.0015  1
  Mn  Mn1  9  0.1710  0.3420  0.8337  1
  Mn  Mn2  3  0.0000  0.0000  0.3653  1
  Pb  Pb3  3  0.0000  0.0000  0.6387  1
  S  S4  9  0.0060  0.5030  0.7522  1
  S  S5  9  0.1820  0.8180  0.5733  1
  S  S6  3  0.0000  0.0000  0.2381  1
  S  S7  3  0.0000  0.0000  0.7787  1
]