data_Ta2CdB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdB
_chemical_formula_sum   'Ta2 Cd1 B1'
_cell_volume   64.54
_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  0.0  0.0  0.7  1.0
  Ta  Ta3  1  0.75  0.0  0.42  1.0
  Cd  Cd1  1  0.75  0.0  0.32  1.0
  B  B0  1  0.0  0.0  0.06  1.0

data_Ta2CdB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.94
_cell_length_b   2.94
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   107.26
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CdB
_chemical_formula_sum   'Ta2 Cd1 B1'
_cell_volume   64.54
_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  0.0  0.0  0.7  1.0
  Ta  Ta1  1  0.75  0.0  0.42  1.0
  Cd  Cd2  1  0.75  0.0  0.32  1.0
  B  B3  1  0.0  0.0  0.06  1.0

Ta Ta Cd B