# generated using pymatgen
data_LiSmAlF6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.92916962
_cell_length_b   4.92916962
_cell_length_c   11.08231800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999489
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiSmAlF6
_chemical_formula_sum   'Li2 Sm2 Al2 F12'
_cell_volume   233.18939088
_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  0.66666700  0.33333300  0.75000000  1
  Li  Li1  1  0.33333300  0.66666700  0.25000000  1
  Sm  Sm2  1  0.00000000  0.00000000  0.50000000  1
  Sm  Sm3  1  0.00000000  0.00000000  0.00000000  1
  Al  Al4  1  0.33333300  0.66666700  0.75000000  1
  Al  Al5  1  0.66666700  0.33333300  0.25000000  1
  F  F6  1  0.35979600  0.33104800  0.34436000  1
  F  F7  1  0.66895200  0.02874800  0.34436000  1
  F  F8  1  0.35979600  0.02874800  0.15564000  1
  F  F9  1  0.33104800  0.35979600  0.65564000  1
  F  F10  1  0.02874800  0.66895200  0.65564000  1
  F  F11  1  0.97125200  0.33104800  0.15564000  1
  F  F12  1  0.66895200  0.64020400  0.15564000  1
  F  F13  1  0.33104800  0.97125200  0.84436000  1
  F  F14  1  0.64020400  0.66895200  0.84436000  1
  F  F15  1  0.64020400  0.97125200  0.65564000  1
  F  F16  1  0.02874800  0.35979600  0.84436000  1
  F  F17  1  0.97125200  0.64020400  0.34436000  1
