data_Sc2InCu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.91
_cell_length_b   4.91
_cell_length_c   5.67
_cell_angle_alpha   103.8
_cell_angle_beta   103.8
_cell_angle_gamma   40.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InCu
_chemical_formula_sum   'Sc2 In1 Cu1'
_cell_volume   85.07
_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
  Sc  Sc2  1  0.46  0.0  0.26  1.0
  Sc  Sc3  1  0.33  0.0  0.22  1.0
  In  In1  1  0.89  0.0  0.74  1.0
  Cu  Cu0  1  0.0  0.0  0.0  1.0

data_Sc2InCu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.36
_cell_length_b   4.91
_cell_length_c   5.67
_cell_angle_alpha   103.8
_cell_angle_beta   90.0
_cell_angle_gamma   110.04
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2InCu
_chemical_formula_sum   'Sc2 In1 Cu1'
_cell_volume   85.07
_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
  Sc  Sc0  1  0.0  0.54  0.74  1.0
  Sc  Sc1  1  0.0  0.67  0.78  1.0
  In  In2  1  0.0  0.11  0.26  1.0
  Cu  Cu3  1  0.0  0.0  0.0  1.0

Sc Sc In Cu