data_[Gd1Tm1Fe2Ni8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Gd  1.2000  1.8000  1.0750
  Tm  1.2500  1.7500  1.0950
  Fe  1.8300  1.4000  0.8525
  Ni  1.9100  1.3500  0.7400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.9319]
_cell_length_b [4.9189]
_cell_length_c [8.5168]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [GdTm(FeNi4)2]
_chemical_formula_sum '[Gd1 Tm1 Fe2 Ni8]'
_cell_volume [164.7235]
_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
[
  Gd  Gd0  1  0.0000  0.5000  0.9999  1.0
  Tm  Tm1  1  0.0000  0.0000  0.5002  1.0
  Fe  Fe2  1  0.0000  0.0000  0.8316  1.0
  Fe  Fe3  1  0.0000  0.5000  0.3352  1.0
  Ni  Ni4  2  0.5000  0.2470  0.2525  1.0
  Ni  Ni5  2  0.5000  0.2488  0.7473  1.0
  Ni  Ni6  1  0.0000  0.0000  0.1684  1.0
  Ni  Ni7  1  0.0000  0.5000  0.6646  1.0
  Ni  Ni8  1  0.5000  0.0000  0.0003  1.0
  Ni  Ni9  1  0.5000  0.5000  0.5003  1.0
]