data_[Zr12Fe2Pt4]
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
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [3.4475]
_cell_length_b [13.7853]
_cell_length_c [7.5299]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [Zr6FePt2]
_chemical_formula_sum '[Zr12 Fe2 Pt4]'
_cell_volume [357.8576]
_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  0.1284  0.8833  1
  Zr  Zr1  4  0.5000  0.1957  0.2207  1
  Zr  Zr2  2  0.0000  0.0000  0.2242  1
  Zr  Zr3  2  0.5000  0.0000  0.5825  1
  Fe  Fe4  2  0.5000  0.0000  0.9562  1
  Pt  Pt5  4  0.0000  0.1611  0.5146  1
]