data_[Zr2Cr4Cu2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Cr  1.6600  1.4000  0.9400
  Cu  1.9000  1.3500  0.8200
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.0845]
_cell_length_b [4.4380]
_cell_length_c [8.4406]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ZrCr2Cu]
_chemical_formula_sum '[Zr2 Cr4 Cu2]'
_cell_volume [115.5442]
_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  0.7547  1
  Cr  Cr1  2  0.0000  0.0000  0.0350  1
  Cr  Cr2  2  0.0000  0.5000  0.2367  1
  Cu  Cu3  2  0.0000  0.0000  0.4736  1
]