data_[Pm1Zr1Fe10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pm  1.1300  1.8500  1.1100
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Pmmm]
_cell_length_a [3.9578]
_cell_length_b [4.9612]
_cell_length_c [8.5826]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [47]
_chemical_formula_structural [PmZrFe10]
_chemical_formula_sum '[Pm1 Zr1 Fe10]'
_cell_volume [168.5257]
_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
  Zr  Zr1  1  0.0000  0.5000  0.5000  1
  Fe  Fe2  4  0.5000  0.2538  0.2580  1
  Fe  Fe3  2  0.0000  0.0000  0.3402  1
  Fe  Fe4  2  0.0000  0.5000  0.1748  1
  Fe  Fe5  1  0.5000  0.0000  0.5000  1
  Fe  Fe6  1  0.5000  0.5000  0.0000  1
]