data_[Zr4In4Cu4]
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 [C2/m]
_cell_length_a [10.2869]
_cell_length_b [4.0255]
_cell_length_c [6.9313]
_cell_angle_alpha [90.0000]
_cell_angle_beta [126.6739]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [ZrInCu]
_chemical_formula_sum '[Zr4 In4 Cu4]'
_cell_volume [230.2066]
_cell_formula_units_Z [4]
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  0.0768  0.0000  0.8455  1.0
  In  In1  4  0.1686  0.5000  0.5874  1.0
  Cu  Cu2  4  0.1419  0.5000  0.1691  1.0
]