data_YAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.59
_cell_length_b   3.59
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YAg2Bi
_chemical_formula_sum   'Y1 Ag2 Bi1'
_cell_volume   95.85
_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
  Y  Y3  1  0.0  0.0  0.79  1.0
  Ag  Ag0  1  0.8  0.8  0.17  1.0
  Ag  Ag1  1  0.0  0.0  0.58  1.0
  Bi  Bi2  1  0.8  0.8  0.6  1.0

data_YAg2Bi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.08
_cell_length_b   5.08
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   YAg2Bi
_chemical_formula_sum   'Y2 Ag4 Bi2'
_cell_volume   191.7
_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
  Y  Y0  2  0.0  0.0  0.79  1.0
  Ag  Ag1  2  0.0  0.0  0.58  1.0
  Ag  Ag2  2  0.3  0.5  0.17  1.0
  Bi  Bi3  2  0.3  0.5  0.6  1.0

Y Ag Ag Bi
Y Ag Ag Bi 0 3 - - o 0 2 o o o 0 1 - - + 1 1 + o o 1 1 o + o 1 2 + + o 1 3 o o o 2 3 - - o 