data_[Cr1Fe1Sb4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cr  1.6600  1.4000  0.9400
  Fe  1.8300  1.4000  0.8525
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [5.9436]
_cell_length_b [3.2244]
_cell_length_c [6.6907]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0614]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [CrFeSb4]
_chemical_formula_sum '[Cr1 Fe1 Sb4]'
_cell_volume [128.2248]
_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
[
  Cr  Cr0  1  0.5000  0.5000  0.5000  1.0
  Fe  Fe1  1  0.0000  0.0000  0.0000  1.0
  Sb  Sb2  2  0.1777  0.0000  0.6521  1.0
  Sb  Sb3  2  0.3030  0.5000  0.1338  1.0
]