data_[Be4Tl4Ir4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Tl  1.6200  1.9000  1.3325
  Ir  2.2000  1.3500  0.7650
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [6.6355]
_cell_length_b [8.7195]
_cell_length_c [7.1140]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.3922]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BeTlIrO5]
_chemical_formula_sum '[Be4 Tl4 Ir4 O20]'
_cell_volume [371.8359]
_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
[
  Be  Be0  4  0.0000  0.3133  0.2500  1.0
  Tl  Tl1  4  0.0000  0.3371  0.7500  1.0
  Ir  Ir2  4  0.0000  0.0000  0.0000  1.0
  O  O3  8  0.0925  0.2128  0.1076  1.0
  O  O4  8  0.1891  0.4417  0.4036  1.0
  O  O5  4  0.0000  0.0784  0.7500  1.0
]