data_ReTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.31
_cell_length_b   7.31
_cell_length_c   7.31
_cell_angle_alpha   22.75
_cell_angle_beta   22.75
_cell_angle_gamma   22.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ReTc2B
_chemical_formula_sum   'Re1 Tc2 B1'
_cell_volume   51.23
_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  0.0  0.0  0.68  1.0
  Tc  Tc2  1  0.0  0.0  0.57  1.0
  Tc  Tc3  1  0.0  0.0  0.79  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_ReTc2B
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.99
_cell_length_b   2.88
_cell_length_c   7.31
_cell_angle_alpha   90.0
_cell_angle_beta   103.16
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   ReTc2B
_chemical_formula_sum   'Re2 Tc4 B2'
_cell_volume   102.46
_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  0.0  0.0  0.21  1.0
  Re  Re1  2  0.0  0.0  0.32  1.0
  Tc  Tc2  2  0.0  0.0  0.43  1.0
  B  B3  2  0.0  0.0  0.0  1.0

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