data_[Sr4Ca4H14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [7.8145]
_cell_length_b [8.2135]
_cell_length_c [5.5878]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sr2Ca2H7]
_chemical_formula_sum '[Sr4 Ca4 H14]'
_cell_volume [358.6543]
_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
[
  Sr  Sr0  4  0.2430  0.5000  0.5000  1.0
  Ca  Ca1  4  0.0000  0.2721  0.0000  1.0
  H  H2  8  0.2500  0.2500  0.2419  1.0
  H  H3  4  0.0000  0.5000  0.2397  1.0
  H  H4  2  0.0000  0.0000  0.0000  1.0
]