data_[Pm2Gd2Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.5716]
_cell_length_b [3.5716]
_cell_length_c [12.2947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [107]
_chemical_formula_structural [PmGdCu]
_chemical_formula_sum '[Pm2 Gd2 Cu2]'
_cell_volume [156.8379]
_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  0.0000  0.0000  0.3081  1
  Gd  Gd1  2  0.0000  0.0000  0.0274  1
  Cu  Cu2  2  0.0000  0.0000  0.6644  1
]