data_[Ca8Ga4H2]
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/m]
_cell_length_a [7.0254]
_cell_length_b [7.0167]
_cell_length_c [7.6657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [103.2093]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Ca4Ga2H]
_chemical_formula_sum '[Ca8 Ga4 H2]'
_cell_volume [367.8861]
_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  4  0.4674  0.5178  0.7288  1.0
  Ca  Ca1  2  0.0539  0.2500  0.3724  1.0
  Ca  Ca2  2  0.1379  0.2500  0.9433  1.0
  Ga  Ga3  2  0.2223  0.7500  0.3632  1.0
  Ga  Ga4  2  0.2781  0.7500  0.0040  1.0
  H  H5  2  0.3056  0.2500  0.2288  1.0
]