[CIF]
data_LiZr2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.22197859
_cell_length_b   4.34248434
_cell_length_c   6.41067512
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiZr2Sc
_chemical_formula_sum   'Li1 Zr2 Sc1'
_cell_volume   89.69426584
_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
  Li  Li0  1  0.00000000  0.00000000  3.19986015  1
  Sc  Sc1  1  1.61098930  2.17124217  4.82303021  1
  Zr  Zr2  1  0.00000000  0.00000000  0.07497765  1
  Zr  Zr3  1  1.61098930  2.17124217  1.51814467  1
[/CIF]
