[CIF]
data_BaZrSc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.96387993
_cell_length_b   5.96387993
_cell_length_c   5.96387993
_cell_angle_alpha   131.96985729
_cell_angle_beta   131.96985729
_cell_angle_gamma   70.27663818
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaZrSc2
_chemical_formula_sum   'Ba1 Zr1 Sc2'
_cell_volume   114.92506523
_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  2.42716156  2.43852606  1
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc2  1  2.42716156  -0.00000000  2.43852606  1
  Zr  Zr3  1  0.00000000  0.00000000  4.87705212  1
[/CIF]
