data_[K2Ca4Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ca  1.0000  1.8000  1.1400
  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 [8.2121]
_cell_length_b [6.0732]
_cell_length_c [5.8360]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [KCa2ReN4]
_chemical_formula_sum '[K2 Ca4 Re2 N8]'
_cell_volume [291.0616]
_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
[
  K  K0  2  0.0000  0.1860  0.5264  1.0
  Ca  Ca1  4  0.2464  0.3096  0.0107  1.0
  Re  Re2  2  0.0000  0.8016  0.9945  1.0
  N  N3  4  0.1850  0.6759  0.1158  1.0
  N  N4  2  0.0000  0.1017  0.0421  1.0
  N  N5  2  0.0000  0.7548  0.6840  1.0
]