data_TaAgB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.78
_cell_length_b   5.61
_cell_length_c   2.88
_cell_angle_alpha   78.66
_cell_angle_beta   72.12
_cell_angle_gamma   29.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaAgB
_chemical_formula_sum   'Ta1 Ag1 B1'
_cell_volume   42.89
_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
  Ta  Ta2  1  0.78  0.26  0.22  1.0
  Ag  Ag0  1  0.78  0.26  0.24  1.0
  B  B1  1  0.78  0.26  0.19  1.0

data_TaAgB
_symmetry_space_group_name_H-M   Cm
_cell_length_a   3.57
_cell_length_b   10.64
_cell_length_c   2.88
_cell_angle_alpha   90.0
_cell_angle_beta   128.25
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaAgB
_chemical_formula_sum   'Ta2 Ag2 B2'
_cell_volume   85.78
_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
  Ta  Ta0  2  0.24  0.5  0.0  1.0
  Ag  Ag1  2  0.22  0.5  0.98  1.0
  B  B2  2  0.27  0.5  0.03  1.0

Ta Ag B