data_Lu(SiPt)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71
_cell_length_b   5.71
_cell_length_c   5.71
_cell_angle_alpha   137.02
_cell_angle_beta   137.02
_cell_angle_gamma   62.4
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Lu(SiPt)2
_chemical_formula_sum   'Lu1 Si2 Pt2'
_cell_volume   85.41
_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
  Lu  Lu0  1  0.0  0.0  0.0  1.0
  Si  Si1  1  0.0  0.0  0.03  1.0
  Si  Si2  1  0.0  0.0  0.74  1.0
  Pt  Pt3  1  0.0  0.09  0.44  1.0
  Pt  Pt4  1  0.09  0.0  0.44  1.0

data_Lu(SiPt)2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.91
_cell_length_b   5.91
_cell_length_c   5.71
_cell_angle_alpha   90.0
_cell_angle_beta   121.2
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Lu(SiPt)2
_chemical_formula_sum   'Lu2 Si4 Pt4'
_cell_volume   170.83
_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
  Lu  Lu0  2  0.0  0.0  0.0  1.0
  Si  Si1  2  0.0  0.0  0.03  1.0
  Si  Si2  2  0.0  0.0  0.74  1.0
  Pt  Pt3  4  0.45  0.45  0.35  1.0

Lu Si Si Pt Pt
Lu Si Si Pt Pt 0 1 o o o 0 2 o o - 1 2 o o - 3 4 o o o 