data_[Sr2V2N6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  V  1.6300  1.3500  0.7775
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5720]
_cell_length_b [6.4348]
_cell_length_c [6.7619]
_cell_angle_alpha [106.8381]
_cell_angle_beta [98.8622]
_cell_angle_gamma [90.1350]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [SrVN3]
_chemical_formula_sum '[Sr2 V2 N6]'
_cell_volume [146.8056]
_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  1  0.5290  0.8007  0.2820  1
  Sr  Sr1  1  0.6690  0.3137  0.7247  1
  V  V2  1  0.0461  0.3361  0.2899  1
  V  V3  1  0.1624  0.8104  0.7315  1
  N  N4  1  0.1284  0.5382  0.5637  1
  N  N5  1  0.1367  0.0029  0.6025  1
  N  N6  1  0.5411  0.2246  0.2951  1
  N  N7  1  0.7109  0.8435  0.8622  1
  N  N8  1  0.9655  0.8722  0.0144  1
  N  N9  1  0.9959  0.4825  0.1154  1
]