data_[Ca2Ac2Sn2N6]
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
  Sn  1.9600  1.4500  0.8300
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.2117]
_cell_length_b [3.5520]
_cell_length_c [9.1724]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.9871]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CaAcSnN3]
_chemical_formula_sum '[Ca2 Ac2 Sn2 N6]'
_cell_volume [202.2541]
_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  2  0.2500  0.2500  0.9648  1
  Ac  Ac1  2  0.2747  0.7500  0.3114  1
  Sn  Sn2  2  0.2305  0.7500  0.6798  1
  N  N3  2  0.0186  0.2500  0.1758  1
  N  N4  2  0.2568  0.2500  0.5454  1
  N  N5  2  0.4898  0.7500  0.8306  1
]