data_[La8H4C8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  H  2.2000  0.2500  0.0000
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [13.3692]
_cell_length_b [4.4620]
_cell_length_c [6.7006]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [La2HC2]
_chemical_formula_sum '[La8 H4 C8]'
_cell_volume [381.6488]
_cell_formula_units_Z [4]
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  8  0.1365  0.3141  0.6107  1.0
  H  H1  4  0.0000  0.4051  0.2500  1.0
  C  C2  8  0.2222  0.1289  0.0144  1.0
]