data_[Lu8Fe4Ge8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Fe  1.8300  1.4000  0.8525
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.3621]
_cell_length_b [4.1544]
_cell_length_c [9.9357]
_cell_angle_alpha [90.0000]
_cell_angle_beta [118.3982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Lu2FeGe2]
_chemical_formula_sum '[Lu8 Fe4 Ge8]'
_cell_volume [376.2403]
_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
[
  Lu  Lu0  4  0.0018  0.0000  0.3309  1.0
  Lu  Lu1  4  0.1854  0.0000  0.1103  1.0
  Fe  Fe2  4  0.2280  0.5000  0.3713  1.0
  Ge  Ge3  4  0.0119  0.5000  0.8722  1.0
  Ge  Ge4  4  0.1509  0.5000  0.5671  1.0
]