data_[Al4Cu4Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Al  1.6100  1.2500  0.6750
  Cu  1.9000  1.3500  0.8200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.2520]
_cell_length_b [8.7017]
_cell_length_c [4.5455]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [AlCuRe]
_chemical_formula_sum '[Al4 Cu4 Re4]'
_cell_volume [168.1827]
_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
[
  Al  Al0  4  0.5000  0.1705  0.1241  1
  Cu  Cu1  4  0.0000  0.1754  0.8221  1
  Re  Re2  2  0.0000  0.0000  0.3184  1
  Re  Re3  2  0.5000  0.0000  0.6188  1
]