data_ZrTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.94
_cell_length_b   4.94
_cell_length_c   4.94
_cell_angle_alpha   144.71
_cell_angle_beta   123.35
_cell_angle_gamma   68.54
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2B
_chemical_formula_sum   'Zr1 Tc2 B1'
_cell_volume   57.46
_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
  Zr  Zr3  1  0.0  0.0  0.09  1.0
  Tc  Tc1  1  0.0  0.35  0.52  1.0
  Tc  Tc2  1  0.5  0.0  0.57  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_ZrTc2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.0
_cell_length_b   4.69
_cell_length_c   4.94
_cell_angle_alpha   118.33
_cell_angle_beta   107.65
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ZrTc2B
_chemical_formula_sum   'Zr1 Tc2 B1'
_cell_volume   57.46
_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
  Zr  Zr0  1  0.0  0.09  0.09  1.0
  Tc  Tc1  1  0.0  0.57  0.07  1.0
  Tc  Tc2  1  0.65  0.17  0.17  1.0
  B  B3  1  0.0  0.0  0.0  1.0

Zr Tc Tc B