data_[Zr1Nb1Re1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Nb  1.6000  1.4500  0.8200
  Re  1.9000  1.3500  0.7125
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.2486]
_cell_length_b [3.2486]
_cell_length_c [6.4851]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [ZrNbReRu]
_chemical_formula_sum '[Zr1 Nb1 Re1 Ru1]'
_cell_volume [68.4415]
_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  0.5000  0.5000  0.6085  1.0
  Nb  Nb1  1  0.5000  0.5000  0.1109  1.0
  Re  Re2  1  0.0000  0.0000  0.3447  1.0
  Ru  Ru3  1  0.0000  0.0000  0.8638  1.0
]