# generated using pymatgen
data_Ba3Sc4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.96416259
_cell_length_b   8.96416259
_cell_length_c   8.96416342
_cell_angle_alpha   38.68041382
_cell_angle_beta   38.68041382
_cell_angle_gamma   38.68041327
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ba3Sc4
_chemical_formula_sum   'Ba3 Sc4'
_cell_volume   252.87608677
_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
  Ba  Ba0  1  0.00000000  0.00000000  0.00000000  1.0
  Ba  Ba1  1  0.57531500  0.57531500  0.57531500  1.0
  Ba  Ba2  1  0.42468500  0.42468500  0.42468500  1.0
  Sc  Sc3  1  0.84618700  0.84618700  0.84618700  1.0
  Sc  Sc4  1  0.15381300  0.15381300  0.15381300  1.0
  Sc  Sc5  1  0.72018400  0.72018400  0.72018400  1.0
  Sc  Sc6  1  0.27981600  0.27981600  0.27981600  1.0