data_[Sr4Cu4H12]
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 [P2_1/c]
_cell_length_a [6.0761]
_cell_length_b [4.5618]
_cell_length_c [9.9172]
_cell_angle_alpha [90.0000]
_cell_angle_beta [114.1171]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrCuH3]
_chemical_formula_sum '[Sr4 Cu4 H12]'
_cell_volume [250.8910]
_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
[
  Sr  Sr0  4  0.2910  0.7494  0.5727  1.0
  Cu  Cu1  4  0.1365  0.2083  0.7840  1.0
  H  H2  4  0.1394  0.6609  0.2847  1.0
  H  H3  4  0.3116  0.2400  0.1975  1.0
  H  H4  4  0.3122  0.2391  0.4580  1.0
]