data_[Mn20Si8Ge4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.8541]
_cell_length_b [12.0723]
_cell_length_c [6.9729]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Mn5Si2Ge]
_chemical_formula_sum '[Mn20 Si8 Ge4]'
_cell_volume [408.6144]
_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  8  0.2463  0.1645  0.5015  1.0
  Mn  Mn1  4  0.0000  0.1221  0.1232  1.0
  Mn  Mn2  4  0.5000  0.1196  0.8729  1.0
  Mn  Mn3  2  0.0000  0.0000  0.7513  1.0
  Mn  Mn4  2  0.5000  0.0000  0.2511  1.0
  Si  Si5  4  0.0000  0.1973  0.8036  1.0
  Si  Si6  2  0.0000  0.0000  0.3962  1.0
  Si  Si7  2  0.5000  0.0000  0.6010  1.0
  Ge  Ge8  4  0.5000  0.1980  0.1969  1.0
]