data_[Sr6As2N2]
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 [P-1]
_cell_length_a [6.4258]
_cell_length_b [7.0456]
_cell_length_c [7.0745]
_cell_angle_alpha [60.1746]
_cell_angle_beta [82.3580]
_cell_angle_gamma [89.7143]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [Sr3AsN]
_chemical_formula_sum '[Sr6 As2 N2]'
_cell_volume [274.7016]
_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  2  0.1825  0.8261  0.3215  1.0
  Sr  Sr1  2  0.2843  0.3181  0.8549  1.0
  Sr  Sr2  2  0.2875  0.8560  0.8268  1.0
  As  As3  2  0.2626  0.3342  0.3325  1.0
  N  N4  1  0.0000  0.0000  0.0000  1.0
  N  N5  1  0.5000  0.0000  0.0000  1.0
]