data_[Ac8La4Si4N16]
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
  Si  1.9000  1.1000  0.5400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.6614]
_cell_length_b [12.0748]
_cell_length_c [12.8337]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Ac2LaSiN4]
_chemical_formula_sum '[Ac8 La4 Si4 N16]'
_cell_volume [567.3891]
_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  0.3655  0.5472  1
  La  La1  4  0.0000  0.0957  0.7500  1
  Si  Si2  4  0.0000  0.1879  0.2500  1
  N  N3  8  0.0000  0.2801  0.1440  1
  N  N4  4  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.3945  0.7500  1
]