data_Co2TcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.93
_cell_length_b   4.93
_cell_length_c   4.93
_cell_angle_alpha   135.69
_cell_angle_beta   132.81
_cell_angle_gamma   66.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcBi
_chemical_formula_sum   'Co2 Tc1 Bi1'
_cell_volume   60.37
_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  Co1  1  0.0  0.0  0.04  1.0
  Co  Co2  1  0.86  0.0  1.0  1.0
  Tc  Tc3  1  0.0  0.0  0.1  1.0
  Bi  Bi0  1  0.0  0.97  0.09  1.0

data_Co2TcBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.72
_cell_length_b   3.95
_cell_length_c   4.93
_cell_angle_alpha   113.59
_cell_angle_beta   112.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcBi
_chemical_formula_sum   'Co2 Tc1 Bi1'
_cell_volume   60.37
_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  0.86  0.0  0.86  1.0
  Co  Co1  1  0.96  0.96  0.96  1.0
  Tc  Tc2  1  0.9  0.9  0.9  1.0
  Bi  Bi3  1  0.91  0.88  0.88  1.0

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