data_[La2Y4C12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Y  1.2200  1.8000  1.0400
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3835]
_cell_length_b [3.7447]
_cell_length_c [9.9220]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.5430]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [La(YC3)2]
_chemical_formula_sum '[La2 Y4 C12]'
_cell_volume [271.2929]
_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  2  0.0000  0.0000  0.0000  1.0
  Y  Y1  4  0.1688  0.5000  0.6640  1.0
  C  C2  4  0.0701  0.0000  0.4677  1.0
  C  C3  4  0.0977  0.5000  0.2180  1.0
  C  C4  4  0.2351  0.5000  0.1493  1.0
]