data_ScCu2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.81
_cell_length_b   5.81
_cell_length_c   5.81
_cell_angle_alpha   149.74
_cell_angle_beta   137.66
_cell_angle_gamma   52.92
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu2Cl
_chemical_formula_sum   'Sc1 Cu2 Cl1'
_cell_volume   66.04
_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  Sc3  1  0.0  0.0  0.2  1.0
  Cu  Cu1  1  0.52  0.0  0.71  1.0
  Cu  Cu2  1  0.0  0.1  0.49  1.0
  Cl  Cl0  1  0.0  0.0  0.0  1.0

data_ScCu2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.03
_cell_length_b   4.19
_cell_length_c   5.81
_cell_angle_alpha   111.17
_cell_angle_beta   105.13
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ScCu2Cl
_chemical_formula_sum   'Sc1 Cu2 Cl1'
_cell_volume   66.04
_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  0.2  0.2  1.0
  Cu  Cu1  1  0.0  0.71  0.19  1.0
  Cu  Cu2  1  0.9  0.4  0.4  1.0
  Cl  Cl3  1  0.0  0.0  0.0  1.0

Sc Cu Cu Cl