data_[Li10B2Ir4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  B  2.0400  0.8500  0.4100
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [6.2506]
_cell_length_b [11.0332]
_cell_length_c [2.9320]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Li5BIr2]
_chemical_formula_sum '[Li10 B2 Ir4]'
_cell_volume [202.2053]
_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
[
  Li  Li0  4  0.0383  0.2354  0.0000  1
  Li  Li1  4  0.2428  0.3680  0.5000  1
  Li  Li2  2  0.0000  0.0000  0.0000  1
  B  B3  2  0.0000  0.5000  0.0000  1
  Ir  Ir4  4  0.1727  0.5977  0.5000  1
]