data_UAg3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.1
_cell_length_b   6.1
_cell_length_c   4.77
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   UAg3
_chemical_formula_sum   'U2 Ag6'
_cell_volume   153.85
_cell_formula_units_Z   2
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
  U  U6  1  0.0  0.52  0.19  1.0
  U  U7  1  0.05  0.76  0.58  1.0
  Ag  Ag0  1  0.0  0.67  0.58  1.0
  Ag  Ag1  1  0.61  0.45  0.58  1.0
  Ag  Ag2  1  0.39  0.45  0.58  1.0
  Ag  Ag3  1  0.05  0.62  0.19  1.0
  Ag  Ag4  1  0.44  0.83  0.19  1.0
  Ag  Ag5  1  0.66  0.83  0.19  1.0

data_UAg3
_symmetry_space_group_name_H-M   P-1
_cell_length_a   4.77
_cell_length_b   6.1
_cell_length_c   6.1
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   2
_chemical_formula_structural   UAg3
_chemical_formula_sum   'U2 Ag6'
_cell_volume   153.85
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '-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
  U  U0  2  0.19  0.02  0.62  1.0
  Ag  Ag1  2  0.19  0.37  0.31  1.0
  Ag  Ag2  2  0.19  0.58  0.31  1.0
  Ag  Ag3  2  0.19  0.98  0.52  1.0

U U Ag Ag Ag Ag Ag Ag
U U Ag Ag Ag Ag Ag Ag 0 5 o o o 1 2 o o o 3 4 o o o 6 7 o o o 