data_Tc2GeP
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.01
_cell_length_b   3.56
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeP
_chemical_formula_sum   'Tc2 Ge1 P1'
_cell_volume   58.34
_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  0.76  0.78  0.24  1.0
  Tc  Tc3  1  0.97  0.78  0.21  1.0
  Ge  Ge0  1  0.36  0.0  0.73  1.0
  P  P1  1  0.0  0.0  0.0  1.0

data_Tc2GeP
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.01
_cell_length_b   3.56
_cell_length_c   5.6
_cell_angle_alpha   90.0
_cell_angle_beta   103.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tc2GeP
_chemical_formula_sum   'Tc2 Ge1 P1'
_cell_volume   58.34
_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  Tc0  1  0.76  0.78  0.24  1.0
  Tc  Tc1  1  0.97  0.78  0.21  1.0
  Ge  Ge2  1  0.36  0.0  0.73  1.0
  P  P3  1  0.0  0.0  0.0  1.0

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