data_[Er4Ti4B4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Ti  1.5400  1.4000  0.8517
  B  2.0400  0.8500  0.4100
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.2812]
_cell_length_b [8.4165]
_cell_length_c [6.8361]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.4442]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [ErTiBO5]
_chemical_formula_sum '[Er4 Ti4 B4 O20]'
_cell_volume [334.0235]
_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
[
  Er  Er0  4  0.0000  0.3417  0.2500  1.0
  Ti  Ti1  4  0.0000  0.0000  0.0000  1.0
  B  B2  4  0.0000  0.3199  0.7500  1.0
  O  O3  8  0.1061  0.2193  0.6287  1.0
  O  O4  8  0.1707  0.4301  0.9091  1.0
  O  O5  4  0.0000  0.0839  0.2500  1.0
]