data_[Sr1Be1Cu1H6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Be  1.5700  1.0500  0.5900
  Cu  1.9000  1.3500  0.8200
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.2483]
_cell_length_b [4.6756]
_cell_length_c [4.9236]
_cell_angle_alpha [90.7435]
_cell_angle_beta [99.1138]
_cell_angle_gamma [111.0732]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrBeCuH6]
_chemical_formula_sum '[Sr1 Be1 Cu1 H6]'
_cell_volume [89.8454]
_cell_formula_units_Z [1]
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  1  0.0689  0.9876  0.9703  1.0
  Be  Be1  1  0.7092  0.3319  0.4038  1.0
  Cu  Cu2  1  0.2794  0.6014  0.5853  1.0
  H  H3  1  0.3856  0.3728  0.3816  1.0
  H  H4  1  0.4437  0.6056  0.8979  1.0
  H  H5  1  0.5268  0.9564  0.5760  1.0
  H  H6  1  0.6772  0.1608  0.1553  1.0
  H  H7  1  0.9315  0.3237  0.6619  1.0
  H  H8  1  0.9777  0.6599  0.3680  1.0
]