data_ZrAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   4.54
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Bi
_chemical_formula_sum   'Zr1 Ag2 Bi1'
_cell_volume   89.09
_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
  Zr  Zr3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.55  0.27  0.4  1.0
  Ag  Ag1  1  0.76  0.27  0.66  1.0
  Bi  Bi2  1  0.54  0.0  0.03  1.0

data_ZrAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.24
_cell_length_b   4.54
_cell_length_c   6.13
_cell_angle_alpha   90.0
_cell_angle_beta   98.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrAg2Bi
_chemical_formula_sum   'Zr1 Ag2 Bi1'
_cell_volume   89.09
_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
  Zr  Zr0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.55  0.27  0.4  1.0
  Ag  Ag2  1  0.76  0.27  0.66  1.0
  Bi  Bi3  1  0.54  0.0  0.03  1.0

Zr Ag Ag Bi