data_[Zr9Ti3Fe24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Ti  1.5400  1.4000  0.8517
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.9493]
_cell_length_b [4.9493]
_cell_length_c [24.2205]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [Zr3TiFe8]
_chemical_formula_sum '[Zr9 Ti3 Fe24]'
_cell_volume [513.8194]
_cell_formula_units_Z [3]
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
[
  Zr  Zr0  3  0.0000  0.0000  0.0013  1.0
  Zr  Zr1  3  0.0000  0.0000  0.4987  1.0
  Zr  Zr2  3  0.0000  0.0000  0.6249  1.0
  Ti  Ti3  3  0.0000  0.0000  0.1251  1.0
  Fe  Fe4  9  0.1667  0.3334  0.3966  1.0
  Fe  Fe5  9  0.1673  0.3346  0.8951  1.0
  Fe  Fe6  3  0.0000  0.0000  0.3125  1.0
  Fe  Fe7  3  0.0000  0.0000  0.8122  1.0
]