data_[Sr6N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P6_3/mcm]
_cell_length_a [7.1860]
_cell_length_b [7.1860]
_cell_length_c [6.7105]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [193]
_chemical_formula_structural [Sr3N]
_chemical_formula_sum '[Sr6 N2]'
_cell_volume [300.0986]
_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  6  0.0000  0.2748  0.7500  1.0
  N  N1  2  0.0000  0.0000  0.0000  1.0
]