data_[Li2Er2F8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Er  1.2400  1.7500  1.0300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [5.0877]
_cell_length_b [5.2832]
_cell_length_c [5.2837]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.6677]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [LiErF4]
_chemical_formula_sum '[Li2 Er2 F8]'
_cell_volume [142.0117]
_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
[
  Li  Li0  2  0.0000  0.2447  0.2500  1.0
  Er  Er1  2  0.5000  0.2512  0.7500  1.0
  F  F2  4  0.2632  0.0624  0.0598  1.0
  F  F3  4  0.2640  0.4362  0.4336  1.0
]