data_[La10Er10Ge12]
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 [Amm2]
_cell_length_a [6.5393]
_cell_length_b [15.1362]
_cell_length_c [8.8296]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [La5Er5Ge6]
_chemical_formula_sum '[La10 Er10 Ge12]'
_cell_volume [873.9569]
_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  4  0.0000  0.1248  0.1255  1.0
  La  La1  4  0.5000  0.1238  0.8746  1.0
  La  La2  2  0.5000  0.0000  0.2526  1.0
  Er  Er3  8  0.2494  0.1656  0.5010  1.0
  Er  Er4  2  0.0000  0.0000  0.7448  1.0
  Ge  Ge5  4  0.0000  0.1926  0.8000  1.0
  Ge  Ge6  4  0.5000  0.1974  0.1963  1.0
  Ge  Ge7  2  0.0000  0.0000  0.4011  1.0
  Ge  Ge8  2  0.5000  0.0000  0.6045  1.0
]