data_[Ba6Co6Re6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Co  1.8800  1.3500  0.7683
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R3m]
_cell_length_a [4.2601]
_cell_length_b [4.2601]
_cell_length_c [32.2792]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [160]
_chemical_formula_structural [BaCoRe]
_chemical_formula_sum '[Ba6 Co6 Re6]'
_cell_volume [507.3228]
_cell_formula_units_Z [6]
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  3  0.0000  0.0000  0.4565  1
  Ba  Ba1  3  0.0000  0.0000  0.6571  1
  Co  Co2  3  0.0000  0.0000  0.8528  1
  Co  Co3  3  0.0000  0.0000  0.9275  1
  Re  Re4  3  0.0000  0.0000  0.2234  1
  Re  Re5  3  0.0000  0.0000  0.5568  1
]