[CIF]
data_CaSc3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.90416061
_cell_length_b   5.90416061
_cell_length_c   5.90416061
_cell_angle_alpha   131.74510625
_cell_angle_beta   131.74510625
_cell_angle_gamma   70.63190298
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSc3
_chemical_formula_sum   'Ca1 Sc3'
_cell_volume   112.24457550
_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  0.00000000  1
  Sc  Sc1  1  2.41343013  -0.00000000  2.40882869  1
  Sc  Sc2  1  0.00000000  0.00000000  4.81765737  1
  Sc  Sc3  1  -0.00000000  2.41343013  2.40882869  1
[/CIF]
