data_[La2B3C2]
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 [P2/m]
_cell_length_a [3.5765]
_cell_length_b [4.0156]
_cell_length_c [6.9252]
_cell_angle_alpha [90.0000]
_cell_angle_beta [99.9133]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La2B3C2]
_chemical_formula_sum '[La2 B3 C2]'
_cell_volume [97.9723]
_cell_formula_units_Z [1]
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  2  0.3196  0.5000  0.7396  1.0
  B  B1  2  0.2358  0.0000  0.4324  1.0
  B  B2  1  0.0000  0.0000  0.0000  1.0
  C  C3  2  0.1420  0.0000  0.2083  1.0
]