[CIF]
data_Ca2ScCl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50424586
_cell_length_b   3.50424586
_cell_length_c   9.38913067
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2ScCl
_chemical_formula_sum   'Ca2 Sc1 Cl1'
_cell_volume   115.29607451
_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  1.75212293  1.75212293  7.24637153  1
  Ca  Ca1  1  1.75212293  1.75212293  2.14275914  1
  Cl  Cl2  1  0.00000000  0.00000000  0.00000000  1
  Sc  Sc3  1  0.00000000  0.00000000  4.69456534  1
[/CIF]
