# generated using pymatgen
data_LiFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.67266484
_cell_length_b   3.67266484
_cell_length_c   6.57666165
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeAs
_chemical_formula_sum   'Li2 Fe2 As2'
_cell_volume   88.70908381
_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
  Li  Li0  1  0.25000000  0.25000000  0.84346602  1
  Li  Li1  1  0.75000000  0.75000000  0.15653398  1
  Fe  Fe2  1  0.75000000  0.25000000  0.50000000  1
  Fe  Fe3  1  0.25000000  0.75000000  0.50000000  1
  As  As4  1  0.25000000  0.25000000  0.24916474  1
  As  As5  1  0.75000000  0.75000000  0.75083526  1
