data_CoAgBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.69
_cell_length_b   5.69
_cell_length_c   5.69
_cell_angle_alpha   145.81
_cell_angle_beta   145.81
_cell_angle_gamma   49.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAgBi
_chemical_formula_sum   'Co1 Ag1 Bi1'
_cell_volume   57.86
_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  Co2  1  0.0  0.0  0.95  1.0
  Ag  Ag0  1  0.0  0.0  0.2  1.0
  Bi  Bi1  1  0.0  0.0  0.2  1.0

data_CoAgBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   5.69
_cell_angle_alpha   90.0
_cell_angle_beta   114.57
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CoAgBi
_chemical_formula_sum   'Co2 Ag2 Bi2'
_cell_volume   115.71
_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
  Co  Co0  2  0.0  0.0  0.05  1.0
  Ag  Ag1  2  0.0  0.0  0.8  1.0
  Bi  Bi2  2  0.0  0.0  0.8  1.0

Co Ag Bi 0 2 o o + 0 1 o o + 1 2 o o o 