data_[La4H2C1O1]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [6.4406]
_cell_length_b [3.7566]
_cell_length_c [6.5918]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6539]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [La4H2CO]
_chemical_formula_sum '[La4 H2 C1 O1]'
_cell_volume [151.1090]
_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  0.2403  0.5000  0.2262  1.0
  La  La1  2  0.2557  0.0000  0.7659  1.0
  H  H2  1  0.0000  0.5000  0.5000  1.0
  H  H3  1  0.5000  0.0000  0.5000  1.0
  C  C4  1  0.5000  0.5000  0.0000  1.0
  O  O5  1  0.0000  0.0000  0.0000  1.0
]