data_TcNi2Bi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.95
_cell_length_b   4.95
_cell_length_c   4.95
_cell_angle_alpha   138.46
_cell_angle_beta   130.36
_cell_angle_gamma   66.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Bi
_chemical_formula_sum   'Tc1 Ni2 Bi1'
_cell_volume   60.4
_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
  Tc  Tc3  1  0.0  0.0  0.12  1.0
  Ni  Ni1  1  0.0  0.0  0.1  1.0
  Ni  Ni2  1  0.76  0.0  0.88  1.0
  Bi  Bi0  1  0.0  0.08  0.17  1.0

data_TcNi2Bi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.51
_cell_length_b   4.16
_cell_length_c   4.95
_cell_angle_alpha   114.82
_cell_angle_beta   110.77
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TcNi2Bi
_chemical_formula_sum   'Tc1 Ni2 Bi1'
_cell_volume   60.4
_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
  Tc  Tc0  1  0.88  0.88  0.88  1.0
  Ni  Ni1  1  0.87  0.12  0.87  1.0
  Ni  Ni2  1  0.9  0.9  0.9  1.0
  Bi  Bi3  1  0.83  0.91  0.91  1.0

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