data_[Sr2Ca4Ru2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Ca  1.0000  1.8000  1.1400
  Ru  2.2000  1.3000  0.6610
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.8226]
_cell_length_b [6.5412]
_cell_length_c [5.5305]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrCa2RuN4]
_chemical_formula_sum '[Sr2 Ca4 Ru2 N8]'
_cell_volume [282.9925]
_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  2  0.0000  0.8550  0.4619  1.0
  Ca  Ca1  4  0.2442  0.6709  0.9716  1.0
  Ru  Ru2  2  0.0000  0.1835  0.9994  1.0
  N  N3  4  0.2030  0.3141  0.9047  1.0
  N  N4  2  0.0000  0.2103  0.3375  1.0
  N  N5  2  0.0000  0.8960  0.9486  1.0
]