data_[Ba2Be1Re1Te1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Be  1.5700  1.0500  0.5900
  Re  1.9000  1.3500  0.7125
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [6.1230]
_cell_length_b [6.1230]
_cell_length_c [4.3836]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [Ba2BeReTe]
_chemical_formula_sum '[Ba2 Be1 Re1 Te1]'
_cell_volume [164.3448]
_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
[
  Ba  Ba0  2  0.0000  0.5000  0.0000  1
  Be  Be1  1  0.0000  0.0000  0.0000  1
  Re  Re2  1  0.0000  0.0000  0.5000  1
  Te  Te3  1  0.5000  0.5000  0.5000  1
]