data_[Sr4Cr4N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [11.8057]
_cell_length_b [3.9773]
_cell_length_c [6.3139]
_cell_angle_alpha [90.0000]
_cell_angle_beta [112.9719]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SrCrN3]
_chemical_formula_sum '[Sr4 Cr4 N12]'
_cell_volume [272.9585]
_cell_formula_units_Z [4]
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  0.1005  0.5000  0.8240  1
  Cr  Cr1  4  0.1789  0.0000  0.3784  1
  N  N2  4  0.0549  0.0000  0.5188  1
  N  N3  4  0.1573  0.5000  0.4341  1
  N  N4  4  0.1628  0.0000  0.1057  1
]