data_[Mn4Ge8Au4Se24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ge  2.0100  1.2500  0.7700
  Au  2.5400  1.3500  1.0700
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.1864]
_cell_length_b [11.8714]
_cell_length_c [6.7550]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MnGe2AuSe6]
_chemical_formula_sum '[Mn4 Ge8 Au4 Se24]'
_cell_volume [998.8030]
_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  0.1082  0.2500  1
  Ge  Ge1  8  0.1966  0.4199  0.2730  1
  Au  Au2  4  0.0000  0.2650  0.7500  1
  Se  Se3  8  0.1069  0.0659  0.6267  1
  Se  Se4  8  0.1232  0.4192  0.5549  1
  Se  Se5  8  0.1313  0.2377  0.1146  1
]