data_[Pm12Te2Ir6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Te  2.1000  1.4000  1.2933
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.9740]
_cell_length_b [4.2314]
_cell_length_c [12.0865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.7982]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Pm6TeIr3]
_chemical_formula_sum '[Pm12 Te2 Ir6]'
_cell_volume [583.0817]
_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
[
  Pm  Pm0  2  0.0692  0.7500  0.9033  1
  Pm  Pm1  2  0.1447  0.2500  0.4425  1
  Pm  Pm2  2  0.2515  0.7500  0.2175  1
  Pm  Pm3  2  0.3080  0.7500  0.7325  1
  Pm  Pm4  2  0.3859  0.2500  0.0310  1
  Pm  Pm5  2  0.4634  0.2500  0.5939  1
  Te  Te6  2  0.0726  0.2500  0.6805  1
  Ir  Ir7  2  0.1572  0.2500  0.0673  1
  Ir  Ir8  2  0.3132  0.7500  0.4860  1
  Ir  Ir9  2  0.4785  0.2500  0.8296  1
]