data_[Pm2Zn7Ir1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zn  1.6500  1.3500  0.8800
  Ir  2.2000  1.3500  0.7650
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [4.1215]
_cell_length_b [4.1215]
_cell_length_c [11.0215]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [115]
_chemical_formula_structural [Pm2Zn7Ir]
_chemical_formula_sum '[Pm2 Zn7 Ir1]'
_cell_volume [187.2148]
_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
[
  Pm  Pm0  2  0.0000  0.5000  0.2393  1
  Zn  Zn1  2  0.0000  0.5000  0.6390  1
  Zn  Zn2  2  0.0000  0.5000  0.8644  1
  Zn  Zn3  1  0.0000  0.0000  0.0000  1
  Zn  Zn4  1  0.0000  0.0000  0.5000  1
  Zn  Zn5  1  0.5000  0.5000  0.5000  1
  Ir  Ir6  1  0.5000  0.5000  0.0000  1
]