data_[U3Mn3Re6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  U  1.3800  1.7500  0.9913
  Mn  1.5500  1.4000  0.6483
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [2.7566]
_cell_length_b [2.7566]
_cell_length_c [28.6542]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [UMnRe2]
_chemical_formula_sum '[U3 Mn3 Re6]'
_cell_volume [188.5622]
_cell_formula_units_Z [3]
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
[
  U  U0  3  -0.0000  -0.0000  0.5000  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  Re  Re2  6  0.0000  0.0000  0.2627  1
]