data_[La6B8C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  B  2.0400  0.8500  0.4100
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [5.0747]
_cell_length_b [5.3381]
_cell_length_c [12.5167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [71]
_chemical_formula_structural [La3(BC)4]
_chemical_formula_sum '[La6 B8 C8]'
_cell_volume [339.0686]
_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  0.0000  0.2168  1
  La  La1  2  0.0000  0.5000  0.0000  1
  B  B2  8  0.0000  0.1525  0.4225  1
  C  C3  4  0.0000  0.3659  0.5000  1
  C  C4  4  0.0000  0.5000  0.2024  1
]