data_[Ce4Te2As1Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ce  1.1200  1.8500  1.0800
  Te  2.1000  1.4000  1.2933
  As  2.1800  1.1500  0.6600
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4689]
_cell_length_b [4.2417]
_cell_length_c [7.6764]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2087]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ce4Te2AsIr]
_chemical_formula_sum '[Ce4 Te2 As1 Ir1]'
_cell_volume [231.0163]
_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
[
  Ce  Ce0  2  0.2521  0.5000  0.2167  1
  Ce  Ce1  2  0.2715  0.0000  0.7880  1
  Te  Te2  1  0.0000  0.5000  0.5000  1
  Te  Te3  1  0.5000  0.0000  0.5000  1
  As  As4  1  0.0000  0.0000  0.0000  1
  Ir  Ir5  1  0.5000  0.5000  0.0000  1
]