data_[Li24Er4B12O36]
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
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [7.2483]
_cell_length_b [16.5188]
_cell_length_c [6.6809]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5833]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Li6Er(BO3)3]
_chemical_formula_sum '[Li24 Er4 B12 O36]'
_cell_volume [770.5152]
_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
[
  Li  Li0  4  0.0437  0.5265  0.1731  1
  Li  Li1  4  0.0714  0.2037  0.0410  1
  Li  Li2  4  0.1932  0.0330  0.0541  1
  Li  Li3  4  0.2122  0.7075  0.8642  1
  Li  Li4  4  0.3651  0.5555  0.9022  1
  Li  Li5  4  0.4258  0.5057  0.3215  1
  Er  Er6  4  0.4230  0.1905  0.8464  1
  B  B7  4  0.0623  0.1178  0.6876  1
  B  B8  4  0.2129  0.6207  0.5014  1
  B  B9  4  0.4169  0.1357  0.3380  1
  O  O10  4  0.0368  0.5867  0.4148  1
  O  O11  4  0.0834  0.2006  0.7279  1
  O  O12  4  0.1056  0.5814  0.9243  1
  O  O13  4  0.2250  0.0708  0.7717  1
  O  O14  4  0.2382  0.7022  0.5576  1
  O  O15  4  0.3622  0.1859  0.1645  1
  O  O16  4  0.3805  0.5743  0.5463  1
  O  O17  4  0.4100  0.0534  0.3239  1
  O  O18  4  0.4895  0.1743  0.5295  1
]