data_[Ca4Zn2Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Zn  1.6500  1.3500  0.8800
  Re  1.9000  1.3500  0.7125
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [7.3372]
_cell_length_b [6.1904]
_cell_length_c [5.5319]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ca2ZnReN4]
_chemical_formula_sum '[Ca4 Zn2 Re2 N8]'
_cell_volume [251.2580]
_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
[
  Ca  Ca0  4  0.2472  0.6925  0.9869  1.0
  Zn  Zn1  2  0.0000  0.8211  0.4927  1.0
  Re  Re2  2  0.0000  0.1736  0.0013  1.0
  N  N3  4  0.2162  0.3181  0.9266  1.0
  N  N4  2  0.0000  0.1200  0.3278  1.0
  N  N5  2  0.0000  0.9070  0.8511  1.0
]