data_Sb2TeIr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.69
_cell_length_b   6.69
_cell_length_c   6.69
_cell_angle_alpha   151.63
_cell_angle_beta   136.54
_cell_angle_gamma   52.72
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeIr
_chemical_formula_sum   'Sb2 Te1 Ir1'
_cell_volume   97.26
_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
  Sb  Sb1  1  0.0  0.48  0.21  1.0
  Sb  Sb2  1  0.64  0.0  0.78  1.0
  Te  Te3  1  0.0  0.0  0.0  1.0
  Ir  Ir0  1  0.0  0.0  0.99  1.0

data_Sb2TeIr
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.28
_cell_length_b   4.95
_cell_length_c   6.69
_cell_angle_alpha   111.73
_cell_angle_beta   104.18
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sb2TeIr
_chemical_formula_sum   'Sb2 Te1 Ir1'
_cell_volume   97.26
_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
  Sb  Sb0  1  0.79  0.27  0.27  1.0
  Sb  Sb1  1  0.86  0.22  0.86  1.0
  Te  Te2  1  0.0  0.0  0.0  1.0
  Ir  Ir3  1  0.01  0.01  0.01  1.0

Sb Sb Te Ir