data_TaBeTc2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23
_cell_length_b   7.23
_cell_length_c   7.23
_cell_angle_alpha   24.48
_cell_angle_beta   24.48
_cell_angle_gamma   24.48
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TaBeTc2
_chemical_formula_sum   'Ta1 Be1 Tc2'
_cell_volume   57.13
_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
  Ta  Ta1  1  0.0  0.0  0.52  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  Tc  Tc2  1  0.0  0.0  0.54  1.0
  Tc  Tc3  1  0.0  0.0  0.5  1.0

data_TaBeTc2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.31
_cell_length_b   3.07
_cell_length_c   7.23
_cell_angle_alpha   90.0
_cell_angle_beta   104.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   TaBeTc2
_chemical_formula_sum   'Ta2 Be2 Tc4'
_cell_volume   114.26
_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
  Ta  Ta0  2  -0.0  0.0  0.48  1.0
  Be  Be1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  -0.0  0.0  0.46  1.0
  Tc  Tc3  2  -0.0  0.0  0.5  1.0

Ta Be Tc Tc
Ta Be Tc Tc 0 3 o o o 0 2 o o o 0 1 o o + 1 1 o + - 1 1 + - o 1 1 + o - 1 3 o o - 1 3 o o o 1 2 o o - 