data_[Sr4Zr2Re2N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Zr  1.3300  1.5500  0.8600
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.0938]
_cell_length_b [5.8215]
_cell_length_c [5.8259]
_cell_angle_alpha [90.0000]
_cell_angle_beta [125.2460]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr2ZrReN6]
_chemical_formula_sum '[Sr4 Zr2 Re2 N12]'
_cell_volume [279.5805]
_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  4  0.2499  0.5000  0.2500  1
  Zr  Zr1  2  0.0000  0.5000  0.5000  1
  Re  Re2  2  0.0000  0.0000  0.0000  1
  N  N3  8  0.0049  0.2381  0.7668  1
  N  N4  4  0.2382  0.0000  0.2479  1
]