data_[Er2Be2N2F12]
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
  N  3.0400  0.6500  0.6300
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.7231]
_cell_length_b [5.7664]
_cell_length_c [7.6322]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.9048]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [ErBeNF6]
_chemical_formula_sum '[Er2 Be2 N2 F12]'
_cell_volume [266.1590]
_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  2  0.3863  0.7500  0.7799  1
  Be  Be1  2  0.2250  0.2500  0.4410  1
  N  N2  2  0.0848  0.2500  0.8818  1
  F  F3  4  0.2952  0.0315  0.5767  1
  F  F4  4  0.3182  0.0450  0.9694  1
  F  F5  2  0.0296  0.7500  0.6845  1
  F  F6  2  0.3420  0.2500  0.3052  1
]