data_Sn2Te2Pt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07
_cell_length_b   6.07
_cell_length_c   6.07
_cell_angle_alpha   119.87
_cell_angle_beta   119.87
_cell_angle_gamma   90.23
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2Te2Pt
_chemical_formula_sum   'Sn2 Te2 Pt1'
_cell_volume   158.54
_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
  Sn  Sn1  1  0.0  0.04  0.14  1.0
  Sn  Sn2  1  0.04  0.0  0.14  1.0
  Te  Te3  1  0.0  0.0  1.0  1.0
  Te  Te4  1  0.0  0.0  0.57  1.0
  Pt  Pt0  1  0.0  0.0  0.0  1.0

data_Sn2Te2Pt
_symmetry_space_group_name_H-M   Cm
_cell_length_a   8.57
_cell_length_b   8.6
_cell_length_c   6.07
_cell_angle_alpha   90.0
_cell_angle_beta   134.89
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   Sn2Te2Pt
_chemical_formula_sum   'Sn4 Te4 Pt2'
_cell_volume   317.08
_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
  Sn  Sn0  4  0.48  0.48  0.86  1.0
  Te  Te1  2  0.0  0.0  0.0  1.0
  Te  Te2  2  0.0  0.0  0.43  1.0
  Pt  Pt3  2  0.0  0.0  0.0  1.0
