data_CoAg2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.86
_cell_length_b   5.86
_cell_length_c   5.86
_cell_angle_alpha   147.72
_cell_angle_beta   134.92
_cell_angle_gamma   56.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAg2Bi
_chemical_formula_sum   'Co1 Ag2 Bi1'
_cell_volume   75.72
_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
  Co  Co3  1  0.0  0.0  0.0  1.0
  Ag  Ag0  1  0.0  0.25  0.89  1.0
  Ag  Ag1  1  0.63  0.0  0.28  1.0
  Bi  Bi2  1  0.0  0.0  0.17  1.0

data_CoAg2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.26
_cell_length_b   4.5
_cell_length_c   5.86
_cell_angle_alpha   112.54
_cell_angle_beta   106.14
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAg2Bi
_chemical_formula_sum   'Co1 Ag2 Bi1'
_cell_volume   75.72
_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
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ag  Ag1  1  0.11  0.36  0.36  1.0
  Ag  Ag2  1  0.35  0.72  0.35  1.0
  Bi  Bi3  1  0.83  0.83  0.83  1.0

Co Ag Ag Bi
Co Ag Ag Bi 0 3 o o o 0 1 o o - 1 2 - o o 