data_GaTcB2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.21
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   137.39
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcB2
_chemical_formula_sum   'Ga1 Tc1 B2'
_cell_volume   50.42
_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
  Ga  Ga2  1  0.0  0.0  0.0  1.0
  Tc  Tc3  1  0.53  0.0  0.1  1.0
  B  B0  1  0.53  0.73  0.1  1.0
  B  B1  1  0.53  0.27  0.1  1.0

data_GaTcB2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.06
_cell_length_b   4.21
_cell_length_c   4.21
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   111.3
_symmetry_Int_Tables_number   1
_chemical_formula_structural   GaTcB2
_chemical_formula_sum   'Ga1 Tc1 B2'
_cell_volume   50.42
_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
  Ga  Ga0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.53  0.1  1.0
  B  B2  1  0.27  0.8  0.1  1.0
  B  B3  1  0.73  0.26  0.1  1.0

Ga Tc B B
Ga Tc B B 0 2 - - o 0 3 o o o 1 3 o o o 1 2 o - o 