data_[Mg12Sn4H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sn  1.9600  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [18.2800]
_cell_length_b [3.3006]
_cell_length_c [6.9662]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.8076]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg3SnH2]
_chemical_formula_sum '[Mg12 Sn4 H8]'
_cell_volume [420.2730]
_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
[
  Mg  Mg0  4  0.0534  0.5000  0.7095  1
  Mg  Mg1  4  0.0928  0.0000  0.3319  1
  Mg  Mg2  4  0.2154  0.0000  0.6633  1
  Sn  Sn3  4  0.1724  0.5000  0.0222  1
  H  H4  4  0.0024  0.0000  0.8057  1
  H  H5  4  0.2021  0.5000  0.5249  1
]