data_[Zr4Fe2Sb2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [5.7448]
_cell_length_b [3.8100]
_cell_length_c [7.8103]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.3297]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [Zr2FeSb]
_chemical_formula_sum '[Zr4 Fe2 Sb2]'
_cell_volume [162.2780]
_cell_formula_units_Z [2]
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  2  0.2652  0.2500  0.4529  1.0
  Zr  Zr1  2  0.3375  0.7500  0.1063  1.0
  Fe  Fe2  2  0.3868  0.7500  0.7110  1.0
  Sb  Sb3  2  0.1165  0.2500  0.7906  1.0
]