data_[Sr12As2N4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  As  2.1800  1.1500  0.6600
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [14.7413]
_cell_length_b [4.8749]
_cell_length_c [9.4672]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.1784]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6AsN2]
_chemical_formula_sum '[Sr12 As2 N4]'
_cell_volume [656.6003]
_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
[
  Sr  Sr0  4  0.1044  0.0000  0.2256  1
  Sr  Sr1  4  0.1379  0.5000  0.5911  1
  Sr  Sr2  4  0.1992  0.0000  0.8813  1
  As  As3  2  0.0000  0.0000  0.5000  1
  N  N4  4  0.2484  0.5000  0.8375  1
]