data_YTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.71
_cell_length_b   4.71
_cell_length_c   5.04
_cell_angle_alpha   112.19
_cell_angle_beta   112.19
_cell_angle_gamma   37.78
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2B
_chemical_formula_sum   'Y1 Tc2 B1'
_cell_volume   62.91
_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
  Y  Y3  1  0.45  0.0  0.31  1.0
  Tc  Tc1  1  0.81  0.0  0.72  1.0
  Tc  Tc2  1  0.1  0.0  0.91  1.0
  B  B0  1  0.0  0.0  0.0  1.0

data_YTc2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.71
_cell_length_c   5.04
_cell_angle_alpha   112.19
_cell_angle_beta   90.0
_cell_angle_gamma   108.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YTc2B
_chemical_formula_sum   'Y1 Tc2 B1'
_cell_volume   62.91
_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
  Y  Y0  1  0.0  0.55  0.69  1.0
  Tc  Tc1  1  0.0  0.19  0.28  1.0
  Tc  Tc2  1  0.0  0.9  0.09  1.0
  B  B3  1  0.0  0.0  0.0  1.0

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