data_Tm(SiNi)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.49
_cell_length_b   5.49
_cell_length_c   5.49
_cell_angle_alpha   138.04
_cell_angle_beta   138.04
_cell_angle_gamma   60.84
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Tm(SiNi)2
_chemical_formula_sum   'Tm1 Si2 Ni2'
_cell_volume   73.35
_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
  Si  Si1  1  0.0  0.0  0.93  1.0
  Si  Si2  1  0.0  0.0  0.55  1.0
  Ni  Ni3  1  0.97  0.0  0.37  1.0
  Ni  Ni4  1  0.0  0.97  0.37  1.0

data_Tm(SiNi)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.56
_cell_length_b   5.56
_cell_length_c   5.49
_cell_angle_alpha   90.0
_cell_angle_beta   120.42
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Tm(SiNi)2
_chemical_formula_sum   'Tm2 Si4 Ni4'
_cell_volume   146.69
_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
  Si  Si1  2  0.07  0.0  0.07  1.0
  Si  Si2  2  0.45  0.0  0.45  1.0
  Ni  Ni3  4  0.11  0.48  0.6  1.0

Tm Si Si Ni Ni