data_[Lu6Ge2B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Ge  2.0100  1.2500  0.7700
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.4787]
_cell_length_b [3.4787]
_cell_length_c [22.1521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [194]
_chemical_formula_structural [Lu3GeB2]
_chemical_formula_sum '[Lu6 Ge2 B4]'
_cell_volume [232.1582]
_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  4  0.3333  0.6667  0.6459  1
  Lu  Lu1  2  0.0000  0.0000  0.0000  1
  Ge  Ge2  2  0.0000  0.0000  0.2500  1
  B  B3  4  0.3333  0.6667  0.0767  1
]