data_[Sr5Re1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [7.1390]
_cell_length_b [7.1390]
_cell_length_c [6.8667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [191]
_chemical_formula_structural [Sr5Re]
_chemical_formula_sum '[Sr5 Re1]'
_cell_volume [303.0732]
_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
[
  Sr  Sr0  3  0.0000  0.5000  0.5000  1
  Sr  Sr1  2  0.3333  0.6667  0.0000  1
  Re  Re2  1  0.0000  0.0000  0.0000  1
]