data_CoTcNi2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.42
_cell_length_b   4.42
_cell_length_c   4.42
_cell_angle_alpha   132.6
_cell_angle_beta   132.6
_cell_angle_gamma   69.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcNi2
_chemical_formula_sum   'Co1 Tc1 Ni2'
_cell_volume   46.07
_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  0.0  0.0  1.0
  Tc  Tc3  1  0.78  0.0  0.82  1.0
  Ni  Ni1  1  0.0  0.78  0.82  1.0
  Ni  Ni2  1  0.0  0.0  0.64  1.0

data_CoTcNi2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.56
_cell_length_b   3.56
_cell_length_c   4.42
_cell_angle_alpha   113.7
_cell_angle_beta   113.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CoTcNi2
_chemical_formula_sum   'Co1 Tc1 Ni2'
_cell_volume   46.07
_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  0.0  0.0  1.0
  Tc  Tc1  1  0.82  0.04  0.04  1.0
  Ni  Ni2  1  0.04  0.82  0.04  1.0
  Ni  Ni3  1  0.64  0.64  0.64  1.0

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