data_[Mn4Ga4Pb8Se20]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.8779]
_cell_length_b [19.2659]
_cell_length_c [12.8227]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [MnGaPb2Se5]
_chemical_formula_sum '[Mn4 Ga4 Pb8 Se20]'
_cell_volume [958.0106]
_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  0.2192  0.0318  1.0
  Ga  Ga1  4  0.0000  0.4354  0.4509  1.0
  Pb  Pb2  4  0.0000  0.1102  0.2939  1.0
  Pb  Pb3  4  0.0000  0.1152  0.6454  1.0
  Se  Se4  4  0.0000  0.0394  0.0619  1.0
  Se  Se5  4  0.0000  0.2796  0.6624  1.0
  Se  Se6  4  0.0000  0.3109  0.4084  1.0
  Se  Se7  4  0.0000  0.3508  0.9851  1.0
  Se  Se8  4  0.0000  0.4930  0.2842  1.0
]