data_Co2TcNi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.41
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   99.36
_cell_angle_beta   99.36
_cell_angle_gamma   33.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcNi
_chemical_formula_sum   'Co2 Tc1 Ni1'
_cell_volume   46.74
_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
  Co  Co0  1  0.03  0.0  0.02  1.0
  Co  Co1  1  0.13  0.0  0.08  1.0
  Tc  Tc3  1  0.56  0.0  0.27  1.0
  Ni  Ni2  1  0.83  0.0  0.15  1.0

data_Co2TcNi
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.55
_cell_length_b   4.41
_cell_length_c   4.41
_cell_angle_alpha   99.36
_cell_angle_beta   106.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcNi
_chemical_formula_sum   'Co2 Tc1 Ni1'
_cell_volume   46.74
_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
  Co  Co0  1  0.0  0.02  0.03  1.0
  Co  Co1  1  0.0  0.08  0.13  1.0
  Tc  Tc2  1  0.0  0.27  0.56  1.0
  Ni  Ni3  1  0.0  0.15  0.83  1.0

Co Co Tc Ni
Co Co Tc Ni 0 1 o o o 0 3 - o o 2 3 o o o 