data_[Ac8La4Re4N16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ac  1.1000  1.9500  1.2600
  La  1.1000  1.9500  1.1720
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6320]
_cell_length_b [12.8006]
_cell_length_c [12.8433]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac2LaReN4]
_chemical_formula_sum '[Ac8 La4 Re4 N16]'
_cell_volume [597.1096]
_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  8  0.0000  0.3678  0.5406  1
  La  La1  4  0.0000  0.1237  0.7500  1
  Re  Re2  4  0.0000  0.1584  0.2500  1
  N  N3  8  0.0000  0.2768  0.1453  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.4036  0.7500  1
]