data_[Ba6Er4O8F6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Er  1.2400  1.7500  1.0300
  O  3.4400  0.6000  1.2600
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [4.2780]
_cell_length_b [4.3039]
_cell_length_c [23.7600]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [Ba3Er2O4F3]
_chemical_formula_sum '[Ba6 Er4 O8 F6]'
_cell_volume [437.4760]
_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
[
  Ba  Ba0  4  0.0000  0.0000  0.1984  1
  Ba  Ba1  2  0.0000  0.0000  0.0000  1
  Er  Er2  4  0.0000  0.0000  0.3980  1
  O  O3  4  0.0000  0.0000  0.3083  1
  O  O4  4  0.0000  0.5000  0.4145  1
  F  F5  4  0.0000  0.5000  0.0785  1
  F  F6  2  0.0000  0.0000  0.5000  1
]