data_Sc2CuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.56
_cell_length_b   4.56
_cell_length_c   5.8
_cell_angle_alpha   103.42
_cell_angle_beta   103.42
_cell_angle_gamma   44.58
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuAg
_chemical_formula_sum   'Sc2 Cu1 Ag1'
_cell_volume   82.12
_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  0.06  0.0  0.32  1.0
  Sc  Sc3  1  0.93  0.0  0.3  1.0
  Cu  Cu1  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.49  0.0  0.81  1.0

data_Sc2CuAg
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.56
_cell_length_c   5.8
_cell_angle_alpha   103.42
_cell_angle_beta   90.0
_cell_angle_gamma   112.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc2CuAg
_chemical_formula_sum   'Sc2 Cu1 Ag1'
_cell_volume   82.12
_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  0.07  0.7  1.0
  Sc  Sc1  1  0.0  0.94  0.68  1.0
  Cu  Cu2  1  0.0  0.0  0.0  1.0
  Ag  Ag3  1  0.0  0.51  0.19  1.0

Sc Sc Cu Ag
Sc Sc Cu Ag 0 1 - o o 0 2 o o o 1 2 + o o 2 3 o o - 2 3 - o - 