data_Ta2CoNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.96
_cell_length_b   4.96
_cell_length_c   4.96
_cell_angle_alpha   136.12
_cell_angle_beta   136.12
_cell_angle_gamma   63.79
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoNi
_chemical_formula_sum   'Ta2 Co1 Ni1'
_cell_volume   57.89
_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  0.0  0.0  0.21  1.0
  Ta  Ta3  1  0.0  0.85  0.11  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Ni  Ni1  1  0.85  0.0  0.11  1.0

data_Ta2CoNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.71
_cell_length_b   3.71
_cell_length_c   4.96
_cell_angle_alpha   111.94
_cell_angle_beta   111.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ta2CoNi
_chemical_formula_sum   'Ta2 Co1 Ni1'
_cell_volume   57.89
_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  Ta0  1  0.75  0.85  0.75  1.0
  Ta  Ta1  1  0.79  0.0  0.79  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Ni  Ni3  1  0.89  0.0  0.75  1.0

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