data_[Li1Ca1Sb1H2]
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
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.1686]
_cell_length_b [4.6149]
_cell_length_c [6.0081]
_cell_angle_alpha [92.3176]
_cell_angle_beta [110.1552]
_cell_angle_gamma [116.1540]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [LiCaSbH2]
_chemical_formula_sum '[Li1 Ca1 Sb1 H2]'
_cell_volume [94.8223]
_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
[
  Li  Li0  1  0.0677  0.6563  0.6773  1
  Ca  Ca1  1  0.6955  0.4647  0.0834  1
  Sb  Sb2  1  0.2784  0.1876  0.4692  1
  H  H3  1  0.2520  0.6599  0.9919  1
  H  H4  1  0.8925  0.2808  0.4383  1
]