data_[Sr12Rh2N2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sr  0.9500  2.0000  1.3200
  Rh  2.2800  1.3500  0.7450
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.1251]
_cell_length_b [12.5397]
_cell_length_c [7.1057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Sr6RhN]
_chemical_formula_sum '[Sr12 Rh2 N2]'
_cell_volume [606.3675]
_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  8  0.2204  0.3552  0.7360  1.0
  Sr  Sr1  4  0.2436  0.5000  0.2765  1.0
  Rh  Rh2  2  0.0000  0.0000  0.0000  1.0
  N  N3  2  0.0000  0.5000  0.5000  1.0
]