data_[Ac4Re4Bi4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  Re  1.9000  1.3500  0.7125
  Bi  2.0200  1.6000  1.0350
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.0147]
_cell_length_b [4.7561]
_cell_length_c [7.9566]
_cell_angle_alpha [90.0000]
_cell_angle_beta [131.2136]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [AcReBi]
_chemical_formula_sum '[Ac4 Re4 Bi4]'
_cell_volume [342.0247]
_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  0.0620  0.0000  0.3072  1
  Re  Re1  4  0.1212  0.5000  0.0744  1
  Bi  Bi2  4  0.1880  0.5000  0.7678  1
]