data_Ta2CoSb
_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   140.71
_cell_angle_beta   126.98
_cell_angle_gamma   67.95
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoSb
_chemical_formula_sum   'Ta2 Co1 Sb1'
_cell_volume   68.09
_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  0.55  1.0
  Ta  Ta3  1  0.73  0.0  0.36  1.0
  Co  Co0  1  0.0  0.0  0.27  1.0
  Sb  Sb1  1  0.0  0.3  0.92  1.0

data_Ta2CoSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   4.6
_cell_length_c   5.15
_cell_angle_alpha   116.51
_cell_angle_beta   109.64
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoSb
_chemical_formula_sum   'Ta2 Co1 Sb1'
_cell_volume   68.09
_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  0.37  0.64  0.37  1.0
  Ta  Ta1  1  0.45  0.45  0.45  1.0
  Co  Co2  1  0.73  0.73  0.73  1.0
  Sb  Sb3  1  0.08  0.38  0.38  1.0

Ta Ta Co Sb
Ta Ta Co Sb 0 1 - o o 0 3 o o o 0 2 o o o 1 2 + o o 