data_CuTcBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.3
_cell_length_b   5.24
_cell_length_c   3.31
_cell_angle_alpha   72.76
_cell_angle_beta   70.61
_cell_angle_gamma   36.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CuTcBi
_chemical_formula_sum   'Cu1 Tc1 Bi1'
_cell_volume   51.71
_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
  Cu  Cu1  1  0.27  0.41  0.99  1.0
  Tc  Tc2  1  0.27  0.41  0.44  1.0
  Bi  Bi0  1  0.27  0.41  0.01  1.0

data_CuTcBi
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.54
_cell_length_b   9.44
_cell_length_c   3.31
_cell_angle_alpha   90.0
_cell_angle_beta   133.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CuTcBi
_chemical_formula_sum   'Cu2 Tc2 Bi2'
_cell_volume   103.42
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.41  0.0  0.29  1.0
  Cu  Cu1  2  0.41  0.0  0.74  1.0
  Bi  Bi2  2  0.41  0.0  0.72  1.0

Cu Tc Bi