[CIF]
data_LiCa2Sc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.70695806
_cell_length_b   3.70695806
_cell_length_c   9.07729772
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiCa2Sc
_chemical_formula_sum   'Li1 Ca2 Sc1'
_cell_volume   124.73603209
_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
  Ca  Ca0  1  0.00000000  0.00000000  8.80072989  1
  Ca  Ca1  1  1.85347903  1.85347903  2.71263877  1
  Li  Li2  1  0.00000000  0.00000000  4.80968535  1
  Sc  Sc3  1  1.85347903  1.85347903  6.37019029  1
[/CIF]
