data_ZrSc2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.33
_cell_length_b   5.33
_cell_length_c   5.23
_cell_angle_alpha   99.95
_cell_angle_beta   99.95
_cell_angle_gamma   33.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Cu
_chemical_formula_sum   'Zr1 Sc2 Cu1'
_cell_volume   81.61
_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
  Zr  Zr3  1  0.65  0.0  0.57  1.0
  Sc  Sc1  1  0.23  0.0  0.14  1.0
  Sc  Sc2  1  0.42  0.0  0.29  1.0
  Cu  Cu0  1  0.84  0.0  0.85  1.0

data_ZrSc2Cu
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.11
_cell_length_b   5.23
_cell_length_c   5.33
_cell_angle_alpha   99.95
_cell_angle_beta   106.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrSc2Cu
_chemical_formula_sum   'Zr1 Sc2 Cu1'
_cell_volume   81.61
_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
  Zr  Zr0  1  0.0  0.57  0.65  1.0
  Sc  Sc1  1  0.0  0.14  0.23  1.0
  Sc  Sc2  1  0.0  0.29  0.42  1.0
  Cu  Cu3  1  0.0  0.85  0.84  1.0

Zr Sc Sc Cu