data_Tc2AgGe
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.74
_cell_length_b   4.74
_cell_length_c   4.74
_cell_angle_alpha   129.98
_cell_angle_beta   129.98
_cell_angle_gamma   73.44
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2AgGe
_chemical_formula_sum   'Tc2 Ag1 Ge1'
_cell_volume   61.18
_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
  Tc  Tc2  1  0.01  0.0  0.9  1.0
  Tc  Tc3  1  0.0  0.0  0.8  1.0
  Ag  Ag0  1  0.0  0.01  0.9  1.0
  Ge  Ge1  1  0.0  0.0  0.0  1.0

data_Tc2AgGe
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.67
_cell_length_b   5.67
_cell_length_c   4.74
_cell_angle_alpha   90.0
_cell_angle_beta   126.72
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tc2AgGe
_chemical_formula_sum   'Tc4 Ag2 Ge2'
_cell_volume   122.36
_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
  Tc  Tc0  2  0.1  0.0  0.1  1.0
  Tc  Tc1  2  0.2  0.0  0.2  1.0
  Ag  Ag2  2  0.1  0.0  0.1  1.0
  Ge  Ge3  2  0.0  0.0  0.0  1.0

Tc Tc Ag Ge
Tc Tc Ag Ge 0 2 o o o 0 1 o o o 0 3 o o + 1 2 o o o 2 3 o o + 