data_[La2Er10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.9260]
_cell_length_b [3.6262]
_cell_length_c [8.4240]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [LaEr5]
_chemical_formula_sum '[La2 Er10]'
_cell_volume [384.3784]
_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  0.2200  0.5000  0.9395  1
  Er  Er1  2  0.0542  0.0000  0.6070  1
  Er  Er2  2  0.1665  0.5000  0.3352  1
  Er  Er3  2  0.3369  0.0000  0.6624  1
  Er  Er4  2  0.3908  0.0000  0.2834  1
  Er  Er5  2  0.4983  0.5000  0.0058  1
]