data_[La6Mg3Co9H36]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  Co  1.8800  1.3500  0.7683
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [6.1278]
_cell_length_b [6.1278]
_cell_length_c [13.9179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [La2Mg(CoH4)3]
_chemical_formula_sum '[La6 Mg3 Co9 H36]'
_cell_volume [452.6008]
_cell_formula_units_Z [3]
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  6  0.0000  0.0000  0.3830  1
  Mg  Mg1  3  0.0000  0.0000  0.0000  1
  Co  Co2  9  0.0000  0.5000  0.5000  1
  H  H3  18  0.0001  0.5000  0.6124  1
  H  H4  18  0.0554  0.5277  0.8353  1
]