data_[Er4Be2F16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Er  1.2400  1.7500  1.0300
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9431]
_cell_length_b [6.9500]
_cell_length_c [4.4508]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0566]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Er2BeF8]
_chemical_formula_sum '[Er4 Be2 F16]'
_cell_volume [263.0143]
_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
[
  Er  Er0  4  0.1832  0.5000  0.3674  1.0
  Be  Be1  2  0.0000  0.0000  0.0000  1.0
  F  F2  8  0.1362  0.1876  0.2699  1.0
  F  F3  4  0.0852  0.5000  0.7989  1.0
  F  F4  4  0.1142  0.0000  0.7923  1.0
]