data_[Be4Ir4F4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Ir  2.2000  1.3500  0.7650
  F  3.9800  0.5000  0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.1997]
_cell_length_b [12.6992]
_cell_length_c [2.6859]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.4068]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeIrF]
_chemical_formula_sum '[Be4 Ir4 F4]'
_cell_volume [152.9611]
_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
[
  Be  Be0  4  0.0000  0.4107  0.0000  1
  Ir  Ir1  4  0.0000  0.2622  0.5000  1
  F  F2  4  0.2335  0.5000  0.0840  1
]