data_Zr2TcGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.54
_cell_length_b   8.54
_cell_length_c   8.54
_cell_angle_alpha   22.21
_cell_angle_beta   22.21
_cell_angle_gamma   22.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TcGe
_chemical_formula_sum   'Zr2 Tc1 Ge1'
_cell_volume   77.98
_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  0.15  1.0
  Zr  Zr3  1  0.0  0.0  0.83  1.0
  Tc  Tc1  1  0.0  0.0  0.49  1.0
  Ge  Ge0  1  0.0  0.0  0.0  1.0

data_Zr2TcGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.7
_cell_length_b   3.29
_cell_length_c   8.54
_cell_angle_alpha   90.0
_cell_angle_beta   102.85
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Zr2TcGe
_chemical_formula_sum   'Zr4 Tc2 Ge2'
_cell_volume   155.95
_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  0.85  1.0
  Zr  Zr1  2  -0.0  0.0  0.17  1.0
  Tc  Tc2  2  -0.0  0.0  0.51  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Zr Zr Tc Ge