data_[Ca2Ga2H10]
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 [P2_1]
_cell_length_a [6.6587]
_cell_length_b [4.3949]
_cell_length_c [6.7725]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.8380]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [CaGaH5]
_chemical_formula_sum '[Ca2 Ga2 H10]'
_cell_volume [193.2374]
_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
[
  Ca  Ca0  2  0.1704  0.5002  0.6680  1.0
  Ga  Ga1  2  0.2856  0.2578  0.2021  1.0
  H  H2  2  0.0832  0.0521  0.1439  1.0
  H  H3  2  0.1201  0.0007  0.5826  1.0
  H  H4  2  0.2627  0.5142  0.3611  1.0
  H  H5  2  0.3201  0.4226  0.0010  1.0
  H  H6  2  0.4819  0.0507  0.2891  1.0
]