data_CrAg2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.64
_cell_angle_alpha   98.97
_cell_angle_beta   98.97
_cell_angle_gamma   34.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2B
_chemical_formula_sum   'Cr1 Ag2 B1'
_cell_volume   60.13
_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
  Cr  Cr3  1  0.21  0.0  0.29  1.0
  Ag  Ag0  1  0.67  0.0  0.11  1.0
  Ag  Ag1  1  0.75  0.0  0.47  1.0
  B  B2  1  0.0  0.0  0.0  1.0

data_CrAg2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.64
_cell_length_c   4.81
_cell_angle_alpha   98.97
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CrAg2B
_chemical_formula_sum   'Cr1 Ag2 B1'
_cell_volume   60.13
_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
  Cr  Cr0  1  0.0  0.29  0.21  1.0
  Ag  Ag1  1  0.0  0.11  0.67  1.0
  Ag  Ag2  1  0.0  0.47  0.75  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Cr Ag Ag B