data_[La8Er4F44]
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
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Ibam]
_cell_length_a [8.8346]
_cell_length_b [10.5577]
_cell_length_c [11.2946]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [72]
_chemical_formula_structural [La2ErF11]
_chemical_formula_sum '[La8 Er4 F44]'
_cell_volume [1053.4869]
_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  8  0.1705  0.1923  0.5000  1
  Er  Er1  4  0.0000  0.5000  0.2500  1
  F  F2  16  0.0966  0.3330  0.3503  1
  F  F3  16  0.1913  0.4307  0.1350  1
  F  F4  8  0.1033  0.1836  0.0000  1
  F  F5  4  0.0000  0.0000  0.0000  1
]