data_[Ca2Zn4Re2N8]
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 [7.1662]
_cell_length_b [5.6970]
_cell_length_c [5.4898]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [CaZn2ReN4]
_chemical_formula_sum '[Ca2 Zn4 Re2 N8]'
_cell_volume [224.1230]
_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  2  0.0000  0.8155  0.4866  1.0
  Zn  Zn1  4  0.2478  0.6789  0.9986  1.0
  Re  Re2  2  0.0000  0.1914  0.0038  1.0
  N  N3  4  0.2080  0.3407  0.8700  1.0
  N  N4  2  0.0000  0.2166  0.3437  1.0
  N  N5  2  0.0000  0.8678  0.9288  1.0
]