data_[Sr8Cu8H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [9.4437]
_cell_length_b [11.7533]
_cell_length_c [4.6713]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [SrCuH3]
_chemical_formula_sum '[Sr8 Cu8 H24]'
_cell_volume [518.4861]
_cell_formula_units_Z [8]
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  8  0.0000  0.1358  0.2154  1.0
  Cu  Cu1  8  0.2500  0.0807  0.7500  1.0
  H  H2  16  0.1195  0.1660  0.6849  1.0
  H  H3  8  0.1753  0.0000  0.0000  1.0
]