data_Zr2VTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   146.0
_cell_angle_beta   129.63
_cell_angle_gamma   62.17
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VTc
_chemical_formula_sum   'Zr2 V1 Tc1'
_cell_volume   72.84
_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  0.0  0.36  0.71  1.0
  Zr  Zr3  1  0.0  0.0  0.54  1.0
  V  V1  1  0.0  0.0  0.86  1.0
  Tc  Tc0  1  0.0  0.36  0.15  1.0

data_Zr2VTc
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.25
_cell_length_b   4.72
_cell_length_c   5.55
_cell_angle_alpha   115.18
_cell_angle_beta   107.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2VTc
_chemical_formula_sum   'Zr2 V1 Tc1'
_cell_volume   72.84
_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  Zr0  1  0.0  0.54  0.54  1.0
  Zr  Zr1  1  0.64  0.35  0.35  1.0
  V  V2  1  0.0  0.86  0.86  1.0
  Tc  Tc3  1  0.64  0.79  0.79  1.0

Zr Zr V Tc