data_[Na4Ca4Be4F20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Na  0.9300  1.8000  1.1600
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.8631]
_cell_length_b [9.0042]
_cell_length_c [7.9183]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.6401]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [NaCaBeF5]
_chemical_formula_sum '[Na4 Ca4 Be4 F20]'
_cell_volume [454.8359]
_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
[
  Na  Na0  4  0.0000  0.3483  0.2500  1.0
  Ca  Ca1  4  0.0000  0.0000  0.0000  1.0
  Be  Be2  4  0.0000  0.3195  0.7500  1.0
  F  F3  8  0.1195  0.2156  0.6600  1.0
  F  F4  8  0.1532  0.4267  0.8970  1.0
  F  F5  4  0.0000  0.1053  0.2500  1.0
]