data_[Lu2Sc4Ag8Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sc  1.3600  1.6000  0.8850
  Ag  1.9300  1.6000  1.0867
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.1734]
_cell_length_b [7.1763]
_cell_length_c [14.0963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [LuSc2(AgGe)4]
_chemical_formula_sum '[Lu2 Sc4 Ag8 Ge8]'
_cell_volume [422.1773]
_cell_formula_units_Z [2]
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
[
  Lu  Lu0  2  0.0000  0.0000  0.0000  1
  Sc  Sc1  4  0.0000  0.5000  0.1221  1
  Ag  Ag2  8  0.0000  0.3002  0.3297  1
  Ge  Ge3  4  0.0000  0.0000  0.2199  1
  Ge  Ge4  4  0.0000  0.1797  0.5000  1
]