data_BaCuAg
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24
_cell_length_b   6.19
_cell_length_c   3.68
_cell_angle_alpha   73.52
_cell_angle_beta   72.03
_cell_angle_gamma   34.45
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCuAg
_chemical_formula_sum   'Ba1 Cu1 Ag1'
_cell_volume   76.5
_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
  Ba  Ba1  1  0.54  0.66  0.55  1.0
  Cu  Cu2  1  0.54  0.66  0.22  1.0
  Ag  Ag0  1  0.54  0.66  0.81  1.0

data_BaCuAg
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.09
_cell_length_b   11.29
_cell_length_c   3.68
_cell_angle_alpha   90.0
_cell_angle_beta   133.69
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCuAg
_chemical_formula_sum   'Ba2 Cu2 Ag2'
_cell_volume   153.0
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Ba  Ba0  2  0.24  0.0  0.9  1.0
  Cu  Cu1  2  0.08  0.5  0.24  1.0
  Ag  Ag2  2  0.48  0.5  0.64  1.0

Ba Cu Ag
Ba Cu Ag 0 2 o o o 0 1 o o o 1 2 o o - 