data_BaCu2Ag
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.41
_cell_length_b   3.41
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BaCu2Ag
_chemical_formula_sum   'Ba1 Cu2 Ag1'
_cell_volume   84.26
_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  0.7  0.7  0.54  1.0
  Cu  Cu2  1  0.0  0.0  0.59  1.0
  Cu  Cu3  1  0.7  0.7  0.62  1.0
  Ag  Ag0  1  0.0  0.0  0.12  1.0

data_BaCu2Ag
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.82
_cell_length_b   4.82
_cell_length_c   7.25
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   BaCu2Ag
_chemical_formula_sum   'Ba2 Cu4 Ag2'
_cell_volume   168.52
_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  0.2  0.5  0.54  1.0
  Cu  Cu1  2  0.0  0.0  0.59  1.0
  Cu  Cu2  2  0.2  0.5  0.62  1.0
  Ag  Ag3  2  0.0  0.0  0.12  1.0

Ba Cu Cu Ag