data_[Ac4Th4Re4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Th  1.3000  1.8000  1.0800
  Re  1.9000  1.3500  0.7125
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.6276]
_cell_length_b [6.0076]
_cell_length_c [5.6061]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.1282]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcThRe]
_chemical_formula_sum '[Ac4 Th4 Re4]'
_cell_volume [401.8071]
_cell_formula_units_Z [4]
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
[
  Ac  Ac0  4  0.1369  0.5000  0.4180  1
  Th  Th1  4  0.1257  0.0000  0.9232  1
  Re  Re2  4  0.0893  0.0000  0.3929  1
]