data_[Mg4Re4P8N24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Re  1.9000  1.3500  0.7125
  P  2.1900  1.0000  0.5500
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [9.3271]
_cell_length_b [9.2132]
_cell_length_c [4.8910]
_cell_angle_alpha [90.0000]
_cell_angle_beta [101.1652]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [MgRe(PN3)2]
_chemical_formula_sum '[Mg4 Re4 P8 N24]'
_cell_volume [412.3393]
_cell_formula_units_Z [4]
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
[
  Mg  Mg0  4  0.0000  0.0892  0.2500  1.0
  Re  Re1  4  0.0000  0.2628  0.7500  1.0
  P  P2  8  0.1972  0.4196  0.3016  1.0
  N  N3  8  0.1097  0.2891  0.1122  1.0
  N  N4  8  0.1259  0.1016  0.6527  1.0
  N  N5  8  0.1483  0.4292  0.6148  1.0
]