data_Cu2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.67
_cell_length_b   4.67
_cell_length_c   2.51
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.66
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcB
_chemical_formula_sum   'Cu2 Tc1 B1'
_cell_volume   47.01
_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  0.15  0.03  0.25  1.0
  Cu  Cu2  1  0.15  0.97  0.25  1.0
  Tc  Tc3  1  0.31  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Cu2TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.51
_cell_length_b   4.62
_cell_length_c   4.67
_cell_angle_alpha   119.67
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cu2TcB
_chemical_formula_sum   'Cu2 Tc1 B1'
_cell_volume   47.01
_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  0.0  0.0  0.31  1.0
  Cu  Cu1  1  0.25  0.03  0.18  1.0
  Cu  Cu2  1  0.25  0.97  0.13  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Cu Cu Tc B
Cu Cu Tc B 0 1 o - o 0 2 o o o 0 3 o o o 1 2 o + o 1 3 o + o 