data_[La4Ni10B8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Ni  1.9100  1.3500  0.7400
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8021]
_cell_length_b [5.1463]
_cell_length_c [6.8088]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.0853]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Ni5B4]
_chemical_formula_sum '[La4 Ni10 B8]'
_cell_volume [281.0576]
_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  0.2252  0.5000  0.6472  1.0
  Ni  Ni1  8  0.0766  0.2513  0.8739  1.0
  Ni  Ni2  2  0.0000  0.0000  0.5000  1.0
  B  B3  4  0.0977  0.5000  0.1363  1.0
  B  B4  4  0.2217  0.0000  0.8404  1.0
]