data_Tm(CoGe)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.75
_cell_length_b   5.75
_cell_length_c   5.75
_cell_angle_alpha   139.99
_cell_angle_beta   139.99
_cell_angle_gamma   57.87
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm(CoGe)2
_chemical_formula_sum   'Tm1 Co2 Ge2'
_cell_volume   78.05
_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
  Tm  Tm0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.97  0.0  0.52  1.0
  Co  Co2  1  0.0  0.97  0.52  1.0
  Ge  Ge3  1  0.0  0.0  0.31  1.0
  Ge  Ge4  1  0.0  0.0  0.76  1.0

data_Tm(CoGe)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.57
_cell_length_b   5.57
_cell_length_c   5.75
_cell_angle_alpha   90.0
_cell_angle_beta   118.94
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tm(CoGe)2
_chemical_formula_sum   'Tm2 Co4 Ge4'
_cell_volume   156.09
_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
  Tm  Tm0  2  0.0  0.0  0.0  1.0
  Co  Co1  4  0.48  0.48  0.45  1.0
  Ge  Ge2  2  0.0  0.0  0.24  1.0
  Ge  Ge3  2  0.0  0.0  0.69  1.0

Tm Co Co Ge Ge