data_Ta2NiSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.15
_cell_length_b   5.15
_cell_length_c   5.15
_cell_angle_alpha   134.32
_cell_angle_beta   134.32
_cell_angle_gamma   66.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2NiSb
_chemical_formula_sum   'Ta2 Ni1 Sb1'
_cell_volume   68.97
_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  0.31  1.0
  Ta  Ta3  1  0.0  0.0  0.15  1.0
  Ni  Ni0  1  0.0  0.0  0.0  1.0
  Sb  Sb1  1  0.0  0.0  0.15  1.0

data_Ta2NiSb
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.15
_cell_angle_alpha   90.0
_cell_angle_beta   123.29
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Ta2NiSb
_chemical_formula_sum   'Ta4 Ni2 Sb2'
_cell_volume   137.95
_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  0.19  0.5  0.69  1.0
  Ta  Ta1  2  0.35  0.5  0.85  1.0
  Ni  Ni2  2  0.0  0.0  0.0  1.0
  Sb  Sb3  2  0.35  0.5  0.85  1.0
