data_[Y2Be2N2F12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Y  1.2200  1.8000  1.0400
  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 [6.7883]
_cell_length_b [5.8256]
_cell_length_c [7.6814]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4834]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [YBeNF6]
_chemical_formula_sum '[Y2 Be2 N2 F12]'
_cell_volume [274.2164]
_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
[
  Y  Y0  2  0.3813  0.7500  0.7781  1
  Be  Be1  2  0.2238  0.2500  0.4400  1
  N  N2  2  0.0902  0.2500  0.8897  1
  F  F3  4  0.2863  0.0335  0.5740  1
  F  F4  4  0.3197  0.0469  0.9720  1
  F  F5  2  0.0257  0.7500  0.6922  1
  F  F6  2  0.3503  0.2500  0.3130  1
]