data_[Ba4Mg4Cu8H24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [8.7376]
_cell_length_b [10.0675]
_cell_length_c [5.4678]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6846]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [BaMg(CuH3)2]
_chemical_formula_sum '[Ba4 Mg4 Cu8 H24]'
_cell_volume [465.2682]
_cell_formula_units_Z [4]
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
[
  Ba  Ba0  4  0.0000  0.1753  0.7500  1.0
  Mg  Mg1  4  0.0000  0.4137  0.2500  1.0
  Cu  Cu2  8  0.2375  0.0868  0.3225  1.0
  H  H3  8  0.0719  0.4056  0.6068  1.0
  H  H4  8  0.1582  0.2343  0.2351  1.0
  H  H5  8  0.1805  0.0066  0.5535  1.0
]