data_[La2Er8Ge6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Er  1.2400  1.7500  1.0300
  Ge  2.0100  1.2500  0.7700
]
_symmetry_space_group_name_H-M [P-31m]
_cell_length_a [8.5268]
_cell_length_b [8.5268]
_cell_length_c [6.4969]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [162]
_chemical_formula_structural [LaEr4Ge3]
_chemical_formula_sum '[La2 Er8 Ge6]'
_cell_volume [409.0770]
_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
[
  La  La0  2  0.3333  0.6667  0.5000  1.0
  Er  Er1  6  0.0000  0.2414  0.7568  1.0
  Er  Er2  2  0.3333  0.6667  0.0000  1.0
  Ge  Ge3  6  0.0000  0.3893  0.2327  1.0
]