data_[Sr4Mg4H16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Mg  1.3100  1.5000  0.8600
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.9595]
_cell_length_b [6.9842]
_cell_length_c [6.9828]
_cell_angle_alpha [90.0000]
_cell_angle_beta [116.8203]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [SrMgH4]
_chemical_formula_sum '[Sr4 Mg4 H16]'
_cell_volume [302.9020]
_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  0.1658  0.1349  0.8156  1
  Mg  Mg1  4  0.3482  0.6847  0.7395  1
  H  H2  4  0.0806  0.6727  0.0932  1
  H  H3  4  0.1800  0.0397  0.1809  1
  H  H4  4  0.3621  0.1194  0.6083  1
  H  H5  4  0.3889  0.6586  0.4824  1
]