data_[Ca10Ac4Bi6N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  Bi  2.0200  1.6000  1.0350
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.9615]
_cell_length_b [4.9615]
_cell_length_c [27.0310]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [139]
_chemical_formula_structural [Ca5Ac2Bi3N2]
_chemical_formula_sum '[Ca10 Ac4 Bi6 N4]'
_cell_volume [665.3972]
_cell_formula_units_Z [2]
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
[
  Ca  Ca0  8  0.0000  0.5000  0.0897  1
  Ca  Ca1  2  0.0000  0.0000  0.5000  1
  Ac  Ac2  4  0.0000  0.0000  0.3112  1
  Bi  Bi3  4  0.0000  0.0000  0.1771  1
  Bi  Bi4  2  0.0000  0.0000  0.0000  1
  N  N5  4  0.0000  0.0000  0.4059  1
]