data_[Zr4In5Fe2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  In  1.7800  1.5500  0.9400
  Fe  1.8300  1.4000  0.8525
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5505]
_cell_length_b [3.3045]
_cell_length_c [9.1480]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.8151]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr4In5Fe2]
_chemical_formula_sum '[Zr4 In5 Fe2]'
_cell_volume [227.4442]
_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
[
  Zr  Zr0  2  0.1840  0.5000  0.8404  1.0
  Zr  Zr1  2  0.2011  0.5000  0.4384  1.0
  In  In2  2  0.1561  0.0000  0.1406  1.0
  In  In3  2  0.4579  0.0000  0.6661  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Fe  Fe5  2  0.0757  0.0000  0.6336  1.0
]