data_[Sr8Cr4Mo4N20]
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
  Mo  2.1600  1.4500  0.7750
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [3.2257]
_cell_length_b [14.8572]
_cell_length_c [10.6531]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Sr2CrMoN5]
_chemical_formula_sum '[Sr8 Cr4 Mo4 N20]'
_cell_volume [510.5431]
_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  0.1182  0.6837  1.0
  Sr  Sr1  4  0.0000  0.1328  0.3169  1.0
  Cr  Cr2  4  0.0000  0.4431  0.4375  1.0
  Mo  Mo3  4  0.0000  0.2120  0.0280  1.0
  N  N4  4  0.0000  0.0424  0.0172  1.0
  N  N5  4  0.0000  0.2970  0.6450  1.0
  N  N6  4  0.0000  0.3251  0.3912  1.0
  N  N7  4  0.0000  0.3312  0.0033  1.0
  N  N8  4  0.0000  0.4974  0.3012  1.0
]