data_[Zr4In5Cu2]
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
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.5209]
_cell_length_b [3.2229]
_cell_length_c [9.4915]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.4415]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Zr4In5Cu2]
_chemical_formula_sum '[Zr4 In5 Cu2]'
_cell_volume [229.3771]
_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  0.1733  0.5000  0.8659  1.0
  Zr  Zr1  2  0.2379  0.5000  0.4433  1.0
  In  In2  2  0.1742  0.0000  0.1554  1.0
  In  In3  2  0.4473  0.0000  0.6824  1.0
  In  In4  1  0.5000  0.0000  0.0000  1.0
  Cu  Cu5  2  0.0641  0.0000  0.6302  1.0
]