# generated using pymatgen
data_LiFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.37005196
_cell_length_b   4.37005196
_cell_length_c   5.14347000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999937
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeAs
_chemical_formula_sum   'Li2 Fe2 As2'
_cell_volume   85.06679035
_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  0.33333300  0.66666700  0.75000000  1
  Li  Li1  1  0.66666700  0.33333300  0.25000000  1
  Fe  Fe2  1  0.00000000  0.00000000  0.25000000  1
  Fe  Fe3  1  0.00000000  0.00000000  0.75000000  1
  As  As4  1  0.33333300  0.66666700  0.25000000  1
  As  As5  1  0.66666700  0.33333300  0.75000000  1
