data_[Ca2Zn2H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [4.3892]
_cell_length_b [5.0103]
_cell_length_c [6.2209]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.0546]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaZnH4]
_chemical_formula_sum '[Ca2 Zn2 H8]'
_cell_volume [130.0699]
_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  0.1041  0.2500  0.7749  1.0
  Zn  Zn1  2  0.4478  0.2500  0.2952  1.0
  H  H2  4  0.2918  0.5040  0.1187  1.0
  H  H3  2  0.1588  0.7500  0.6612  1.0
  H  H4  2  0.3986  0.2500  0.5414  1.0
]