data_CoAg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.84
_cell_length_b   6.91
_cell_length_c   6.91
_cell_angle_alpha   22.86
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAg2B
_chemical_formula_sum   'Co1 Ag2 B1'
_cell_volume   52.69
_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  0.42  0.0  0.58  1.0
  Ag  Ag0  1  0.0  0.0  0.46  1.0
  Ag  Ag1  1  0.42  0.0  0.91  1.0
  B  B2  1  0.0  0.0  0.99  1.0

data_CoAg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   2.84
_cell_length_c   6.91
_cell_angle_alpha   90.0
_cell_angle_beta   101.43
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoAg2B
_chemical_formula_sum   'Co1 Ag2 B1'
_cell_volume   52.69
_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  0.42  0.42  0.42  1.0
  Ag  Ag1  1  0.09  0.42  0.09  1.0
  Ag  Ag2  1  0.54  0.0  0.54  1.0
  B  B3  1  0.01  0.0  0.01  1.0

Co Ag Ag B