# generated using pymatgen
data_LiScF4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.22070897
_cell_length_b   6.22070897
_cell_length_c   6.22070897
_cell_angle_alpha   132.02827451
_cell_angle_beta   132.02827451
_cell_angle_gamma   70.18437405
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiScF4
_chemical_formula_sum   'Li2 Sc2 F8'
_cell_volume   130.19644299
_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  0.00000000  0.00000000  0.00000000  1
  Li  Li1  1  0.75000000  0.25000000  0.50000000  1
  Sc  Sc2  1  0.25000000  0.75000000  0.50000000  1
  Sc  Sc3  1  0.50000000  0.50000000  0.00000000  1
  F  F4  1  0.25868600  0.37008500  0.46782300  1
  F  F5  1  0.90226200  0.79086300  0.53217700  1
  F  F6  1  0.12008500  0.15226200  0.61139800  1
  F  F7  1  0.62991500  0.09773800  0.88860200  1
  F  F8  1  0.20913700  0.74131400  0.11139800  1
  F  F9  1  0.84773800  0.45913700  0.96782300  1
  F  F10  1  0.54086300  0.50868600  0.38860200  1
  F  F11  1  0.49131400  0.87991500  0.03217700  1
