data_[La4Ga2B2Pd12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ga  1.8100  1.3000  0.7600
  B  2.0400  0.8500  0.4100
  Pd  2.2000  1.4000  0.8462
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [5.7881]
_cell_length_b [8.8232]
_cell_length_c [7.4013]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [La2GaBPd6]
_chemical_formula_sum '[La4 Ga2 B2 Pd12]'
_cell_volume [377.9842]
_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
[
  La  La0  4  0.0000  0.2201  0.2817  1.0
  Ga  Ga1  2  0.0000  0.5000  0.6785  1.0
  B  B2  2  0.0000  0.0000  0.8136  1.0
  Pd  Pd3  4  0.0000  0.2407  0.8470  1.0
  Pd  Pd4  4  0.2380  0.5000  0.9872  1.0
  Pd  Pd5  4  0.2443  0.0000  0.6017  1.0
]