data_[La8Er4Ge8]
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 [C2/m]
_cell_length_a [12.7030]
_cell_length_b [4.4874]
_cell_length_c [11.0310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [117.1476]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2ErGe2]
_chemical_formula_sum '[La8 Er4 Ge8]'
_cell_volume [559.5266]
_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
[
  La  La0  4  0.0150  0.5000  0.6869  1
  La  La1  4  0.1792  0.5000  0.0906  1
  Er  Er2  4  0.2243  0.0000  0.3676  1
  Ge  Ge3  4  0.0097  0.0000  0.8881  1
  Ge  Ge4  4  0.1182  0.0000  0.5594  1
]