data_[Sr8Cr4Re4N20]
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
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2619]
_cell_length_b [14.8180]
_cell_length_c [10.4609]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2CrReN5]
_chemical_formula_sum '[Sr8 Cr4 Re4 N20]'
_cell_volume [505.6250]
_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  0.1214  0.6867  1
  Sr  Sr1  4  0.0000  0.1319  0.3079  1
  Cr  Cr2  4  0.0000  0.4398  0.4434  1
  Re  Re3  4  0.0000  0.2130  0.0223  1
  N  N4  4  0.0000  0.0494  0.0239  1
  N  N5  4  0.0000  0.2979  0.6405  1
  N  N6  4  0.0000  0.3219  0.3911  1
  N  N7  4  0.0000  0.3326  0.0024  1
  N  N8  4  0.0000  0.4951  0.3059  1
]