data_[La4H4C4]
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/m]
_cell_length_a [7.3060]
_cell_length_b [3.9884]
_cell_length_c [6.7121]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.9532]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [LaHC]
_chemical_formula_sum '[La4 H4 C4]'
_cell_volume [194.8544]
_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  4  0.1486  0.0000  0.2459  1.0
  H  H1  4  0.1855  0.0000  0.6109  1.0
  C  C2  4  0.0695  0.5000  0.9440  1.0
]