# generated using pymatgen
data_LiAlH4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.40267400
_cell_length_b   6.55109000
_cell_length_c   6.77639500
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiAlH4
_chemical_formula_sum   'Li4 Al4 H16'
_cell_volume   239.83968329
_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
  Li  Li0  1  0.25000000  0.24601200  0.75294500  1
  Li  Li1  1  0.25000000  0.74601200  0.74705500  1
  Li  Li2  1  0.75000000  0.75398800  0.24705500  1
  Li  Li3  1  0.75000000  0.25398800  0.25294500  1
  Al  Al4  1  0.25000000  0.50885700  0.17307900  1
  Al  Al5  1  0.25000000  0.00885700  0.32692100  1
  Al  Al6  1  0.75000000  0.49114300  0.82692100  1
  Al  Al7  1  0.75000000  0.99114300  0.67307900  1
  H  H8  1  0.25000000  0.30291900  0.03625800  1
  H  H9  1  0.25000000  0.80291900  0.46374200  1
  H  H10  1  0.75000000  0.69708100  0.96374200  1
  H  H11  1  0.75000000  0.19708100  0.53625800  1
  H  H12  1  0.25000000  0.71217300  0.03388600  1
  H  H13  1  0.25000000  0.21217300  0.46611400  1
  H  H14  1  0.75000000  0.28782700  0.96611400  1
  H  H15  1  0.75000000  0.78782700  0.53388600  1
  H  H16  1  0.01474300  0.49266400  0.70834500  1
  H  H17  1  0.48525700  0.99266400  0.79165500  1
  H  H18  1  0.51474300  0.50733600  0.29165500  1
  H  H19  1  0.98525700  0.00733600  0.20834500  1
  H  H20  1  0.98525700  0.50733600  0.29165500  1
  H  H21  1  0.51474300  0.00733600  0.20834500  1
  H  H22  1  0.48525700  0.49266400  0.70834500  1
  H  H23  1  0.01474300  0.99266400  0.79165500  1
