data_[Sr2Ca4Re2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  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 [7.6431]
_cell_length_b [6.6115]
_cell_length_c [5.7472]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [SrCa2ReN4]
_chemical_formula_sum '[Sr2 Ca4 Re2 N8]'
_cell_volume [290.4193]
_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  2  0.0000  0.1383  0.5257  1.0
  Ca  Ca1  4  0.2442  0.3409  0.0187  1.0
  Re  Re2  2  0.0000  0.8221  0.9960  1.0
  N  N3  4  0.2002  0.6953  0.1082  1.0
  N  N4  2  0.0000  0.1044  0.0496  1.0
  N  N5  2  0.0000  0.7893  0.6750  1.0
]