data_[Zn2Cr1Ru1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zn  1.6500  1.3500  0.8800
  Cr  1.6600  1.4000  0.9400
  Ru  2.2000  1.3000  0.6610
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [2.8978]
_cell_length_b [2.8978]
_cell_length_c [6.5418]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [Zn2CrRu]
_chemical_formula_sum '[Zn2 Cr1 Ru1]'
_cell_volume [54.9314]
_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
[
  Zn  Zn0  1  0.0000  0.0000  0.9961  1.0
  Zn  Zn1  1  0.5000  0.5000  0.2616  1.0
  Cr  Cr2  1  0.0000  0.0000  0.5178  1.0
  Ru  Ru3  1  0.5000  0.5000  0.7245  1.0
]