data_[Li4Ca10H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0161]
_cell_length_b [5.8228]
_cell_length_c [7.3504]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.4608]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Li2Ca5H12]
_chemical_formula_sum '[Li4 Ca10 H24]'
_cell_volume [490.5904]
_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
[
  Li  Li0  4  0.0000  0.2310  0.0000  1.0
  Ca  Ca1  4  0.1785  0.5000  0.3396  1.0
  Ca  Ca2  4  0.1967  0.5000  0.8492  1.0
  Ca  Ca3  2  0.0000  0.0000  0.5000  1.0
  H  H4  8  0.1587  0.2500  0.5791  1.0
  H  H5  8  0.1697  0.2784  0.0852  1.0
  H  H6  4  0.0071  0.5000  0.8071  1.0
  H  H7  4  0.0163  0.0000  0.2039  1.0
]