data_[Sr2B4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  B  2.0400  0.8500  0.4100
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.7614]
_cell_length_b [6.3717]
_cell_length_c [4.3667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [119.5917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr(BH4)2]
_chemical_formula_sum '[Sr2 B4 H16]'
_cell_volume [211.9769]
_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  0.0000  0.0000  0.0000  1.0
  B  B1  4  0.2439  0.0000  0.7361  1.0
  H  H2  8  0.1501  0.1570  0.6583  1.0
  H  H3  4  0.1527  0.5000  0.9486  1.0
  H  H4  4  0.1799  0.5000  0.4334  1.0
]