# generated using pymatgen
data_LiFeAs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53753197
_cell_length_b   4.53753197
_cell_length_c   4.53753197
_cell_angle_alpha   141.12697160
_cell_angle_beta   141.12697160
_cell_angle_gamma   56.14608345
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiFeAs
_chemical_formula_sum   'Li1 Fe1 As1'
_cell_volume   36.51128213
_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
  Li  Li0  1  0.53458600  0.53458600  0.00000000  1
  Fe  Fe1  1  0.21249200  0.21249200  0.00000000  1
  As  As2  1  0.85862100  0.85862100  0.00000000  1
