data_[Te10Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [7.4492]
_cell_length_b [7.5366]
_cell_length_c [7.9700]
_cell_angle_alpha [94.9317]
_cell_angle_beta [95.6167]
_cell_angle_gamma [112.3266]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Te5Ir3]
_chemical_formula_sum '[Te10 Ir6]'
_cell_volume [408.2178]
_cell_formula_units_Z [2]
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  0.1142  0.2906  0.6847  1
  Te  Te1  1  0.2201  0.5814  0.0550  1
  Te  Te2  1  0.2382  0.1353  0.2037  1
  Te  Te3  1  0.2764  0.9009  0.7909  1
  Te  Te4  1  0.4662  0.6471  0.4353  1
  Te  Te5  1  0.5847  0.2112  0.5486  1
  Te  Te6  1  0.6597  0.4728  0.9420  1
  Te  Te7  1  0.7239  0.1104  0.1847  1
  Te  Te8  1  0.7722  0.8887  0.7932  1
  Te  Te9  1  0.9200  0.7273  0.3247  1
  Ir  Ir10  1  0.0029  0.2101  0.9908  1
  Ir  Ir11  1  0.0106  0.7956  0.0085  1
  Ir  Ir12  1  0.1974  0.0318  0.5111  1
  Ir  Ir13  1  0.4164  0.6249  0.7769  1
  Ir  Ir14  1  0.6011  0.3908  0.2711  1
  Ir  Ir15  1  0.7892  0.9810  0.4787  1
]