data_[Al2Cd2B2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cd  1.6900  1.5500  1.0900
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.8272]
_cell_length_b [3.0134]
_cell_length_c [6.1276]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.9643]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [AlCdB]
_chemical_formula_sum '[Al2 Cd2 B2]'
_cell_volume [97.5460]
_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
[
  Al  Al0  2  0.0159  0.2500  0.8148  1
  Cd  Cd1  2  0.4893  0.2500  0.2501  1
  B  B2  2  0.0387  0.7500  0.5613  1
]