data_Zr2InTc
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.24
_cell_length_b   9.24
_cell_length_c   9.24
_cell_angle_alpha   20.46
_cell_angle_beta   20.46
_cell_angle_gamma   20.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2InTc
_chemical_formula_sum   'Zr2 In1 Tc1'
_cell_volume   84.31
_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  0.0  0.04  1.0
  Zr  Zr3  1  0.0  0.0  0.09  1.0
  In  In0  1  0.0  0.0  0.56  1.0
  Tc  Tc1  1  0.0  0.0  0.0  1.0

data_Zr2InTc
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.68
_cell_length_b   3.28
_cell_length_c   9.24
_cell_angle_alpha   90.0
_cell_angle_beta   101.84
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2InTc
_chemical_formula_sum   'Zr4 In2 Tc2'
_cell_volume   168.63
_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  0.91  1.0
  Zr  Zr1  2  0.0  0.0  0.96  1.0
  In  In2  2  0.0  0.0  0.44  1.0
  Tc  Tc3  2  0.0  0.0  0.0  1.0

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