data_[Sr2Cu2H6]
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]
_cell_length_a [5.0545]
_cell_length_b [4.5030]
_cell_length_c [6.0541]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.3332]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [4]
_chemical_formula_structural [SrCuH3]
_chemical_formula_sum '[Sr2 Cu2 H6]'
_cell_volume [129.2079]
_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  2  0.1432  0.1022  0.2748  1.0
  Cu  Cu1  2  0.3870  0.2170  0.8622  1.0
  H  H2  2  0.0686  0.0933  0.8166  1.0
  H  H3  2  0.3500  0.4788  0.0599  1.0
  H  H4  2  0.3580  0.4113  0.6259  1.0
]