data_ReTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.95
_cell_length_b   6.16
_cell_length_c   6.16
_cell_angle_alpha   27.17
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2B
_chemical_formula_sum   'Re1 Tc2 B1'
_cell_volume   51.06
_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
  Re  Re1  1  0.48  0.0  0.53  1.0
  Tc  Tc2  1  0.0  0.0  0.22  1.0
  Tc  Tc3  1  0.48  0.0  0.07  1.0
  B  B0  1  0.0  0.0  0.87  1.0

data_ReTc2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.89
_cell_length_b   2.95
_cell_length_c   6.16
_cell_angle_alpha   90.0
_cell_angle_beta   103.58
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2B
_chemical_formula_sum   'Re1 Tc2 B1'
_cell_volume   51.06
_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
  Re  Re0  1  0.47  0.48  0.47  1.0
  Tc  Tc1  1  0.78  0.0  0.78  1.0
  Tc  Tc2  1  0.93  0.48  0.93  1.0
  B  B3  1  0.13  0.0  0.13  1.0

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