data_Zr2TaTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.24
_cell_length_b   3.24
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaTc
_chemical_formula_sum   'Zr2 Ta1 Tc1'
_cell_volume   77.5
_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  Zr2  1  0.62  0.62  0.14  1.0
  Zr  Zr3  1  0.0  0.0  0.94  1.0
  Ta  Ta0  1  0.62  0.62  0.94  1.0
  Tc  Tc1  1  0.0  0.0  0.4  1.0

data_Zr2TaTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.59
_cell_length_b   4.59
_cell_length_c   7.37
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2TaTc
_chemical_formula_sum   'Zr4 Ta2 Tc2'
_cell_volume   154.99
_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
  Zr  Zr0  2  0.0  0.0  0.94  1.0
  Zr  Zr1  2  0.12  0.5  0.14  1.0
  Ta  Ta2  2  0.12  0.5  0.94  1.0
  Tc  Tc3  2  0.0  0.0  0.4  1.0

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