data_Zr2SiTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.83
_cell_length_b   4.83
_cell_length_c   4.83
_cell_angle_alpha   126.0
_cell_angle_beta   126.0
_cell_angle_gamma   79.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2SiTc
_chemical_formula_sum   'Zr2 Si1 Tc1'
_cell_volume   71.4
_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  0.19  0.85  1.0
  Zr  Zr3  1  0.19  0.0  0.85  1.0
  Si  Si0  1  0.0  0.0  0.0  1.0
  Tc  Tc1  1  0.0  0.0  0.71  1.0

data_Zr2SiTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.21
_cell_length_b   6.21
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   129.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2SiTc
_chemical_formula_sum   'Zr4 Si2 Tc2'
_cell_volume   142.8
_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  4  0.4  0.4  0.66  1.0
  Si  Si1  2  0.0  0.0  0.0  1.0
  Tc  Tc2  2  0.0  0.0  0.71  1.0

Zr Zr Si Tc