data_Te2RuPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.31
_cell_length_b   3.31
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te2RuPt
_chemical_formula_sum   'Te2 Ru1 Pt1'
_cell_volume   77.36
_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
  Te  Te2  1  0.65  0.65  0.69  1.0
  Te  Te3  1  0.65  0.65  0.38  1.0
  Ru  Ru1  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.0  0.0  0.54  1.0

data_Te2RuPt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.68
_cell_length_b   4.68
_cell_length_c   7.07
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Te2RuPt
_chemical_formula_sum   'Te4 Ru2 Pt2'
_cell_volume   154.72
_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
  Te  Te0  2  0.15  0.5  0.38  1.0
  Te  Te1  2  0.15  0.5  0.69  1.0
  Ru  Ru2  2  0.0  0.0  0.0  1.0
  Pt  Pt3  2  0.0  0.0  0.54  1.0

Te Te Ru Pt
Te Te Ru Pt 0 3 + + o 0 1 o o o 0 2 + + + 0 2 + o + 0 2 o + + 0 2 o o + 1 3 + + o 1 2 + + o 1 2 + o o 1 2 o + o 2 2 + o o 2 2 o + o 2 3 o o - 