data_[La2Er4Ge4]
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 [P2_1/m]
_cell_length_a [5.6710]
_cell_length_b [4.6880]
_cell_length_c [10.6682]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.1924]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [La(ErGe)2]
_chemical_formula_sum '[La2 Er4 Ge4]'
_cell_volume [276.1377]
_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  0.4234  0.2500  0.2211  1
  Er  Er1  2  0.1127  0.2500  0.8758  1
  Er  Er2  2  0.2510  0.2500  0.5412  1
  Ge  Ge3  2  0.2216  0.7500  0.3839  1
  Ge  Ge4  2  0.3145  0.7500  0.0230  1
]