data_[Rb2Ca4Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  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 [8.3270]
_cell_length_b [6.0187]
_cell_length_c [5.9570]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [RbCa2ReN4]
_chemical_formula_sum '[Rb2 Ca4 Re2 N8]'
_cell_volume [298.5507]
_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
[
  Rb  Rb0  2  0.0000  0.8094  0.4820  1
  Ca  Ca1  4  0.2462  0.6895  0.9921  1
  Re  Re2  2  0.0000  0.2058  0.0045  1
  N  N3  4  0.1804  0.3268  0.8748  1
  N  N4  2  0.0000  0.2693  0.3067  1
  N  N5  2  0.0000  0.9011  0.9730  1
]