data_[Pm1Gd1Zn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Gd  1.2000  1.8000  1.0750
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [5.0329]
_cell_length_b [5.0329]
_cell_length_c [3.7163]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [PmGdZn]
_chemical_formula_sum '[Pm1 Gd1 Zn1]'
_cell_volume [81.5223]
_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  0.6667  0.3333  0.9509  1
  Gd  Gd1  1  0.3333  0.6667  0.3953  1
  Zn  Zn2  1  0.0000  0.0000  0.6538  1
]