# generated using pymatgen
data_BaMg2FeH8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.55655132
_cell_length_b   4.55655132
_cell_length_c   6.96986600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999012
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaMg2FeH8
_chemical_formula_sum   'Ba1 Mg2 Fe1 H8'
_cell_volume   125.32209189
_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  0.00000000  0.00000000  0.50000000  1.0
  Mg  Mg1  1  0.66666700  0.33333300  0.88804200  1.0
  Mg  Mg2  1  0.33333300  0.66666700  0.11195800  1.0
  Fe  Fe3  1  0.00000000  0.00000000  0.00000000  1.0
  H  H4  1  0.31884300  0.15942100  0.13642000  1.0
  H  H5  1  0.84057900  0.68115700  0.13642000  1.0
  H  H6  1  0.84057900  0.15942100  0.13642000  1.0
  H  H7  1  0.68115700  0.84057900  0.86358000  1.0
  H  H8  1  0.15942100  0.31884300  0.86358000  1.0
  H  H9  1  0.15942100  0.84057900  0.86358000  1.0
  H  H10  1  0.66666700  0.33333300  0.60919700  1.0
  H  H11  1  0.33333300  0.66666700  0.39080300  1.0