data_[Ca24Ga12H4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ga  1.8100  1.3000  0.7600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [11.7084]
_cell_length_b [14.3359]
_cell_length_c [6.5197]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ca6Ga3H]
_chemical_formula_sum '[Ca24 Ga12 H4]'
_cell_volume [1094.3428]
_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
[
  Ca  Ca0  8  0.1580  0.2944  0.2888  1.0
  Ca  Ca1  8  0.2247  0.4644  0.8072  1.0
  Ca  Ca2  4  0.0000  0.0813  0.5261  1.0
  Ca  Ca3  4  0.0000  0.3030  0.7868  1.0
  Ga  Ga4  8  0.1127  0.1229  0.9805  1.0
  Ga  Ga5  4  0.0000  0.4768  0.0821  1.0
  H  H6  4  0.0000  0.2434  0.4668  1.0
]