# generated using pymatgen
data_MgH2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.99253700
_cell_length_b   4.47669400
_cell_length_c   4.47669400
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgH2
_chemical_formula_sum   'Mg2 H4'
_cell_volume   59.97280310
_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
  Mg  Mg0  1  0.50000000  0.50000000  0.50000000  1.0
  Mg  Mg1  1  0.00000000  0.00000000  0.00000000  1.0
  H  H2  1  0.00000000  0.69557200  0.69557200  1.0
  H  H3  1  0.50000000  0.80442800  0.19557200  1.0
  H  H4  1  0.00000000  0.30442800  0.30442800  1.0
  H  H5  1  0.50000000  0.19557200  0.80442800  1.0