data_[Pm1Th4Zn5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Th  1.3000  1.8000  1.0800
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.6662]
_cell_length_b [3.6662]
_cell_length_c [18.3148]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [PmTh4Zn5]
_chemical_formula_sum '[Pm1 Th4 Zn5]'
_cell_volume [246.1680]
_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  1  0.0000  0.0000  0.0000  1
  Th  Th1  2  0.0000  0.0000  0.2000  1
  Th  Th2  2  0.0000  0.0000  0.4000  1
  Zn  Zn3  2  0.5000  0.5000  0.0974  1
  Zn  Zn4  2  0.5000  0.5000  0.2998  1
  Zn  Zn5  1  0.5000  0.5000  0.5000  1
]