data_[Sr8Ta4Cr4N20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2760]
_cell_length_b [14.7090]
_cell_length_c [10.9270]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2TaCrN5]
_chemical_formula_sum '[Sr8 Ta4 Cr4 N20]'
_cell_volume [526.5352]
_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  0.0000  0.1177  0.6735  1.0
  Sr  Sr1  4  0.0000  0.1372  0.3346  1.0
  Ta  Ta2  4  0.0000  0.2037  0.0399  1.0
  Cr  Cr3  4  0.0000  0.4433  0.4278  1.0
  N  N4  4  0.0000  0.0383  0.0031  1.0
  N  N5  4  0.0000  0.3021  0.6502  1.0
  N  N6  4  0.0000  0.3277  0.3905  1.0
  N  N7  4  0.0000  0.3295  0.0085  1.0
  N  N8  4  0.0000  0.4977  0.2959  1.0
]