data_[Pr8Tm8Fe8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Pr  1.1300  1.8500  1.0600
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [6.9354]
_cell_length_b [12.2111]
_cell_length_c [7.3236]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [64]
_chemical_formula_structural [PrTmFe]
_chemical_formula_sum '[Pr8 Tm8 Fe8]'
_cell_volume [620.2230]
_cell_formula_units_Z [8]
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
[
  Pr  Pr0  8  0.0000  0.1975  0.6122  1
  Tm  Tm1  8  0.2500  0.0402  0.2500  1
  Fe  Fe2  8  0.0000  0.0889  0.9594  1
]