data_[Mn3In12Pb3Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  In  1.7800  1.5500  0.9400
  Pb  2.3300  1.8000  1.1225
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [8.3874]
_cell_length_b [8.3874]
_cell_length_c [19.5770]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [MnIn4PbSe8]
_chemical_formula_sum '[Mn3 In12 Pb3 Se24]'
_cell_volume [1192.6950]
_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
[
  Mn  Mn0  3  0.0000  0.0000  0.9990  1.0
  In  In1  9  0.1702  0.3404  0.8332  1.0
  In  In2  3  0.0000  0.0000  0.6198  1.0
  Pb  Pb3  3  0.0000  0.0000  0.3907  1.0
  Se  Se4  9  0.0542  0.5271  0.7486  1.0
  Se  Se5  9  0.1824  0.3648  0.5808  1.0
  Se  Se6  3  0.0000  0.0000  0.2445  1.0
  Se  Se7  3  0.0000  0.0000  0.7582  1.0
]