data_Sn2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87
_cell_length_b   6.87
_cell_length_c   6.87
_cell_angle_alpha   152.89
_cell_angle_beta   138.71
_cell_angle_gamma   50.1
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TeIr
_chemical_formula_sum   'Sn2 Te1 Ir1'
_cell_volume   97.05
_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  0.42  0.3  1.0
  Sn  Sn2  1  0.61  0.0  0.92  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.22  1.0

data_Sn2TeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.22
_cell_length_b   4.84
_cell_length_c   6.87
_cell_angle_alpha   110.65
_cell_angle_beta   103.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sn2TeIr
_chemical_formula_sum   'Sn2 Te1 Ir1'
_cell_volume   97.05
_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  Sn0  1  0.0  0.92  0.31  1.0
  Sn  Sn1  1  0.58  0.88  0.88  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.0  0.22  0.22  1.0

Sn Sn Te Ir
Sn Sn Te Ir 0 2 o o o 1 3 + o + 2 3 o o o 