data_[Ta4Be4Re2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P4/mbm]
_cell_length_a [6.3386]
_cell_length_b [6.3386]
_cell_length_c [3.2950]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [127]
_chemical_formula_structural [Ta2Be2Re]
_chemical_formula_sum '[Ta4 Be4 Re2]'
_cell_volume [132.3848]
_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
[
  Ta  Ta0  4  0.1777  0.3223  0.5000  1.0
  Be  Be1  4  0.1180  0.6180  0.0000  1.0
  Re  Re2  2  0.0000  0.0000  0.0000  1.0
]