data_[Zr2Zn2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Zr  1.3300  1.5500  0.8600
  Zn  1.6500  1.3500  0.8800
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.2407]
_cell_length_b [4.5212]
_cell_length_c [9.0384]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [ZrZnRe2]
_chemical_formula_sum '[Zr2 Zn2 Re4]'
_cell_volume [132.4286]
_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  0.2440  1
  Zn  Zn1  2  0.0000  0.0000  0.5149  1
  Re  Re2  2  0.0000  0.0000  0.9861  1
  Re  Re3  2  0.0000  0.5000  0.7550  1
]