data_[Re1Sb1As2Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Re  1.9000  1.3500  0.7125
  Sb  2.0500  1.4500  0.8300
  As  2.1800  1.1500  0.6600
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [5.1203]
_cell_length_b [5.1203]
_cell_length_c [4.9204]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [ReSbAs2Ru]
_chemical_formula_sum '[Re1 Sb1 As2 Ru1]'
_cell_volume [128.9984]
_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
[
  Re  Re0  1  0.0000  0.0000  0.5000  1
  Sb  Sb1  1  0.0000  0.0000  0.0000  1
  As  As2  2  0.0000  0.5000  0.0000  1
  Ru  Ru3  1  0.5000  0.5000  0.5000  1
]