data_Ta2ZnB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.73
_cell_angle_alpha   138.14
_cell_angle_beta   122.62
_cell_angle_gamma   73.51
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnB
_chemical_formula_sum   'Ta2 Zn1 B1'
_cell_volume   58.24
_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  Ta1  1  0.0  0.27  0.18  1.0
  Ta  Ta2  1  0.69  0.0  0.61  1.0
  Zn  Zn3  1  0.0  0.0  0.79  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Ta2ZnB
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.38
_cell_length_b   4.54
_cell_length_c   4.73
_cell_angle_alpha   118.69
_cell_angle_beta   110.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2ZnB
_chemical_formula_sum   'Ta2 Zn1 B1'
_cell_volume   58.24
_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  Ta0  1  0.08  0.39  0.08  1.0
  Ta  Ta1  1  0.82  0.09  0.09  1.0
  Zn  Zn2  1  0.21  0.21  0.21  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Ta Ta Zn B