data_[La4Co34B4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Co  1.8800  1.3500  0.7683
  B  2.0400  0.8500  0.4100
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.5260]
_cell_length_b [8.6875]
_cell_length_c [6.4586]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.3190]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La2Co17B2]
_chemical_formula_sum '[La4 Co34 B4]'
_cell_volume [528.8676]
_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  0.1384  0.5000  0.3180  1
  Co  Co1  8  0.0985  0.2403  0.6628  1
  Co  Co2  8  0.1401  0.1373  0.2775  1
  Co  Co3  4  0.0000  0.2712  0.0000  1
  Co  Co4  4  0.0956  0.0000  0.9047  1
  Co  Co5  4  0.1617  0.5000  0.8606  1
  Co  Co6  4  0.2500  0.2500  0.0000  1
  Co  Co7  2  0.0000  0.0000  0.5000  1
  B  B8  4  0.2500  0.2500  0.5000  1
]