data_BeTc2B
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.39
_cell_length_b   4.39
_cell_length_c   3.97
_cell_angle_alpha   107.41
_cell_angle_beta   107.41
_cell_angle_gamma   36.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2B
_chemical_formula_sum   'Be1 Tc2 B1'
_cell_volume   43.29
_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
  Be  Be1  1  0.87  0.0  0.84  1.0
  Tc  Tc2  1  0.03  0.0  0.62  1.0
  Tc  Tc3  1  0.08  0.0  0.18  1.0
  B  B0  1  0.74  0.0  0.79  1.0

data_BeTc2B
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.75
_cell_length_b   3.97
_cell_length_c   4.39
_cell_angle_alpha   107.41
_cell_angle_beta   108.28
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeTc2B
_chemical_formula_sum   'Be1 Tc2 B1'
_cell_volume   43.29
_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
  Be  Be0  1  0.0  0.84  0.87  1.0
  Tc  Tc1  1  0.0  0.18  0.08  1.0
  Tc  Tc2  1  0.0  0.62  0.03  1.0
  B  B3  1  0.0  0.79  0.74  1.0

Be Tc Tc B