data_[Be2Zn2Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Zn  1.6500  1.3500  0.8800
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [8.9226]
_cell_length_b [2.7485]
_cell_length_c [4.6277]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.6648]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BeZnRe2]
_chemical_formula_sum '[Be2 Zn2 Re4]'
_cell_volume [109.2731]
_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
[
  Be  Be0  2  0.0000  0.0000  0.5000  1
  Zn  Zn1  2  0.0000  0.5000  0.0000  1
  Re  Re2  4  0.2382  0.5000  0.7396  1
]