data_TePt3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   4.65
_cell_angle_alpha   104.95
_cell_angle_beta   104.95
_cell_angle_gamma   43.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePt3
_chemical_formula_sum   'Te1 Pt3'
_cell_volume   71.11
_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  Te3  1  0.0  0.0  0.0  1.0
  Pt  Pt0  1  0.82  0.0  0.23  1.0
  Pt  Pt1  1  0.36  0.0  0.12  1.0
  Pt  Pt2  1  0.27  0.0  0.34  1.0

data_TePt3
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.57
_cell_length_b   4.65
_cell_length_c   4.81
_cell_angle_alpha   104.95
_cell_angle_beta   111.79
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   TePt3
_chemical_formula_sum   'Te1 Pt3'
_cell_volume   71.11
_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  Te0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.0  0.12  0.36  1.0
  Pt  Pt2  1  0.0  0.23  0.82  1.0
  Pt  Pt3  1  0.0  0.34  0.27  1.0

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