# generated using pymatgen
data_Ba2MgH6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71778424
_cell_length_b   5.71785353
_cell_length_c   4.53831009
_cell_angle_alpha   89.99968632
_cell_angle_beta   90.00018681
_cell_angle_gamma   120.00054182
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba2MgH6
_chemical_formula_sum   'Ba2 Mg1 H6'
_cell_volume   128.49410891
_cell_formula_units_Z   1
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
  Ba  Ba0  1  0.66666505  0.33333303  0.26703826  1.0
  Ba  Ba1  1  0.33333495  0.66666697  0.73296174  1.0
  Mg  Mg2  1  0.00000000  -0.00000000  0.00000000  1.0
  H  H3  1  0.82963093  0.65926880  0.77532671  1.0
  H  H4  1  0.82963093  0.17036613  0.77532571  1.0
  H  H5  1  0.34072838  0.17036619  0.77532573  1.0
  H  H6  1  0.17036907  0.34073120  0.22467329  1.0
  H  H7  1  0.17036907  0.82963387  0.22467429  1.0
  H  H8  1  0.65927162  0.82963381  0.22467427  1.0