[CIF]
data_BaSc2Si
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31102596
_cell_length_b   3.64880953
_cell_length_c   9.09764560
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaSc2Si
_chemical_formula_sum   'Ba1 Sc2 Si1'
_cell_volume   109.91141378
_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  4.54882280  1
  Sc  Sc1  1  1.65551298  1.82440477  7.61665880  1
  Sc  Sc2  1  1.65551298  1.82440477  1.48098680  1
  Si  Si3  1  0.00000000  0.00000000  0.00000000  1
[/CIF]
