data_[Fe2Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Fe  1.8300  1.4000  0.8525
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2319]
_cell_length_b [2.5241]
_cell_length_c [13.4850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [FeCu5]
_chemical_formula_sum '[Fe2 Cu10]'
_cell_volume [144.0416]
_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
[
  Fe  Fe0  2  0.5000  0.0000  0.8902  1.0
  Cu  Cu1  2  0.0000  0.0000  0.3318  1.0
  Cu  Cu2  2  0.0000  0.0000  0.6656  1.0
  Cu  Cu3  2  0.0000  0.0000  0.9988  1.0
  Cu  Cu4  2  0.5000  0.0000  0.2232  1.0
  Cu  Cu5  2  0.5000  0.0000  0.5570  1.0
]