data_[Cs4Ca2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [7.3554]
_cell_length_b [12.0807]
_cell_length_c [3.8997]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Cs2CaH4]
_chemical_formula_sum '[Cs4 Ca2 H8]'
_cell_volume [346.5239]
_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
[
  Cs  Cs0  4  0.0586  0.1775  0.5000  1.0
  Ca  Ca1  2  0.0000  0.5000  0.0000  1.0
  H  H2  4  0.1284  0.6706  0.0000  1.0
  H  H3  4  0.1827  0.4511  0.5000  1.0
]