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/m]
_cell_length_a [4.2987]
_cell_length_b [5.2604]
_cell_length_c [6.4478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.5627]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [SrCuH3]
_chemical_formula_sum '[Sr2 Cu2 H6]'
_cell_volume [140.4573]
_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  0.1389  0.2500  0.2791  1.0
  Cu  Cu1  2  0.4769  0.2500  0.7683  1.0
  H  H2  4  0.3140  0.5060  0.6544  1.0
  H  H3  2  0.1504  0.7500  0.1050  1.0
]