data_Co2TcB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.22
_cell_length_b   4.22
_cell_length_c   2.58
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   110.73
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcB
_chemical_formula_sum   'Co2 Tc1 B1'
_cell_volume   42.91
_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  0.2  0.73  0.29  1.0
  Co  Co2  1  0.2  0.27  0.29  1.0
  Tc  Tc3  1  0.4  0.0  0.0  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_Co2TcB
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.58
_cell_length_b   4.22
_cell_length_c   4.22
_cell_angle_alpha   110.73
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Co2TcB
_chemical_formula_sum   'Co2 Tc1 B1'
_cell_volume   42.91
_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  0.29  0.2  0.27  1.0
  Co  Co1  1  0.29  0.2  0.73  1.0
  Tc  Tc2  1  0.0  0.4  0.0  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Co Co Tc B
Co Co Tc B 0 2 o + o 1 3 o o o 