data_[Rb4Mn4C12N12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mn  1.5500  1.4000  0.6483
  C  2.5500  0.7000  0.3000
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [6.8824]
_cell_length_b [7.1760]
_cell_length_c [12.0875]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4602]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [RbMn(CN)3]
_chemical_formula_sum '[Rb4 Mn4 C12 N12]'
_cell_volume [492.2219]
_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
[
  Rb  Rb0  4  0.2625  0.0318  0.7498  1
  Mn  Mn1  2  0.0000  0.0000  0.0000  1
  Mn  Mn2  2  0.5000  0.0000  0.5000  1
  C  C3  4  0.1714  0.5015  0.6896  1
  C  C4  4  0.1849  0.7015  0.5084  1
  C  C5  4  0.2118  0.1761  0.0079  1
  N  N6  4  0.2841  0.5016  0.8085  1
  N  N7  4  0.2993  0.6711  0.0132  1
  N  N8  4  0.3353  0.2064  0.5106  1
]