data_[Ca8Ag2H2]
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 [Pmn2_1]
_cell_length_a [8.2772]
_cell_length_b [6.9288]
_cell_length_c [6.5963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ca4AgH]
_chemical_formula_sum '[Ca8 Ag2 H2]'
_cell_volume [378.3057]
_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  0.2276  0.1935  0.3375  1
  Ca  Ca1  2  0.0000  0.3438  0.8147  1
  Ca  Ca2  2  0.0000  0.6581  0.3577  1
  Ag  Ag3  2  0.0000  0.9806  0.0585  1
  H  H4  2  0.0000  0.3434  0.4660  1
]