data_[Zr2Cu10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.1129]
_cell_length_b [3.0517]
_cell_length_c [6.3706]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8653]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrCu5]
_chemical_formula_sum '[Zr2 Cu10]'
_cell_volume [166.6239]
_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  2  0.0000  0.5000  0.5000  1
  Cu  Cu1  4  0.1643  0.0000  0.8602  1
  Cu  Cu2  4  0.1786  0.0000  0.3096  1
  Cu  Cu3  2  0.0000  0.5000  0.0000  1
]