data_[Li2Er2Cu2F12]
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
  Cu  1.9000  1.3500  0.8200
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P4_2nm]
_cell_length_a [4.8463]
_cell_length_b [4.8463]
_cell_length_c [9.8454]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [102]
_chemical_formula_structural [LiErCuF6]
_chemical_formula_sum '[Li2 Er2 Cu2 F12]'
_cell_volume [231.2301]
_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  0.0000  0.0087  1.0
  Er  Er1  2  0.0000  0.0000  0.6656  1.0
  Cu  Cu2  2  0.0000  0.0000  0.3337  1.0
  F  F3  4  0.1885  0.8115  0.1649  1.0
  F  F4  4  0.2039  0.7961  0.4979  1.0
  F  F5  4  0.2167  0.7833  0.8331  1.0
]