data_[Ca12Ag4H2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ag  1.9300  1.6000  1.0867
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.7767]
_cell_length_b [7.8240]
_cell_length_c [11.8838]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.3940]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca6Ag2H]
_chemical_formula_sum '[Ca12 Ag4 H2]'
_cell_volume [526.0722]
_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  0.1176  0.6765  0.9443  1
  Ca  Ca1  4  0.2819  0.1853  0.9419  1
  Ca  Ca2  4  0.3768  0.5277  0.7544  1
  Ag  Ag3  4  0.1993  0.6118  0.2486  1
  H  H4  2  0.5000  0.0000  0.5000  1
]