data_[Tb1Pm14Zr1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tb  1.1000  1.7500  0.9815
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [7.2311]
_cell_length_b [7.2311]
_cell_length_c [10.2070]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TbPm14Zr]
_chemical_formula_sum '[Tb1 Pm14 Zr1]'
_cell_volume [533.7107]
_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
[
  Tb  Tb0  1  0.5000  0.5000  0.0000  1
  Pm  Pm1  8  0.2447  0.2447  0.2433  1
  Pm  Pm2  2  0.0000  0.5000  0.0000  1
  Pm  Pm3  2  0.0000  0.5000  0.5000  1
  Pm  Pm4  1  0.0000  0.0000  0.5000  1
  Pm  Pm5  1  0.5000  0.5000  0.5000  1
  Zr  Zr6  1  0.0000  0.0000  0.0000  1
]