data_[Zr6Fe4Sn14]
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
  Sn  1.9600  1.4500  0.8300
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [4.6109]
_cell_length_b [26.3928]
_cell_length_c [4.3023]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Zr3Fe2Sn7]
_chemical_formula_sum '[Zr6 Fe4 Sn14]'
_cell_volume [523.5603]
_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  4  0.0000  0.1848  0.0000  1
  Zr  Zr1  2  0.0000  0.5000  0.5000  1
  Fe  Fe2  4  0.0000  0.3705  0.5000  1
  Sn  Sn3  4  0.0000  0.0942  0.5000  1
  Sn  Sn4  4  0.0000  0.2797  0.5000  1
  Sn  Sn5  4  0.0000  0.4125  0.0000  1
  Sn  Sn6  2  0.0000  0.0000  0.0000  1
]