data_[Mg4Sb8H8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sb  2.0500  1.4500  0.8300
  H  2.2000  0.2500  0.0000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [5.4134]
_cell_length_b [17.1501]
_cell_length_c [6.4179]
_cell_angle_alpha [90.0000]
_cell_angle_beta [113.8824]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg(SbH)2]
_chemical_formula_sum '[Mg4 Sb8 H8]'
_cell_volume [544.8234]
_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  0.0000  0.0902  0.5000  1
  Sb  Sb1  8  0.1348  0.2135  0.2558  1
  H  H2  4  0.0341  0.0000  0.6849  1
  H  H3  4  0.1824  0.0000  0.4572  1
]