data_Te3Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.53
_cell_length_b   6.53
_cell_length_c   6.53
_cell_angle_alpha   145.67
_cell_angle_beta   60.76
_cell_angle_gamma   131.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Pt
_chemical_formula_sum   'Te3 Pt1'
_cell_volume   116.28
_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  Te1  1  0.0  0.0  0.3  1.0
  Te  Te2  1  0.0  0.47  0.61  1.0
  Te  Te3  1  0.0  0.79  0.61  1.0
  Pt  Pt0  1  0.0  0.63  0.62  1.0

data_Te3Pt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.85
_cell_length_b   5.36
_cell_length_c   6.53
_cell_angle_alpha   114.25
_cell_angle_beta   107.17
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Te3Pt
_chemical_formula_sum   'Te3 Pt1'
_cell_volume   116.28
_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  0.3  0.3  0.3  1.0
  Te  Te1  1  0.61  0.14  0.14  1.0
  Te  Te2  1  0.61  0.82  0.82  1.0
  Pt  Pt3  1  0.62  0.99  0.99  1.0

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