data_[Zr2Cu3Sb3]
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
  Sb  2.0500  1.4500  0.8300
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [4.2135]
_cell_length_b [4.2135]
_cell_length_c [8.8521]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Zr2(CuSb)3]
_chemical_formula_sum '[Zr2 Cu3 Sb3]'
_cell_volume [157.1583]
_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  1  0.0000  0.0000  0.2645  1
  Zr  Zr1  1  0.5000  0.5000  0.7600  1
  Cu  Cu2  2  0.0000  0.5000  0.4778  1
  Cu  Cu3  1  0.5000  0.5000  0.3259  1
  Sb  Sb4  2  0.0000  0.5000  0.0174  1
  Sb  Sb5  1  0.0000  0.0000  0.6593  1
]