data_[Mn4Ga4Pb8S20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ga  1.8100  1.3000  0.7600
  Pb  2.3300  1.8000  1.1225
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.6957]
_cell_length_b [18.3123]
_cell_length_c [12.2969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnGaPb2S5]
_chemical_formula_sum '[Mn4 Ga4 Pb8 S20]'
_cell_volume [832.2239]
_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  4  0.0000  0.2173  0.0281  1.0
  Ga  Ga1  4  0.0000  0.4382  0.4507  1.0
  Pb  Pb2  4  0.0000  0.1137  0.2984  1.0
  Pb  Pb3  4  0.0000  0.1156  0.6499  1.0
  S  S4  4  0.0000  0.0388  0.0584  1.0
  S  S5  4  0.0000  0.2812  0.6550  1.0
  S  S6  4  0.0000  0.3146  0.4073  1.0
  S  S7  4  0.0000  0.3496  0.9887  1.0
  S  S8  4  0.0000  0.4955  0.2873  1.0
]