data_[Rb4Zr4Mn2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.7906]
_cell_length_b [11.7836]
_cell_length_c [8.5050]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.4139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb2Zr2MnSe6]
_chemical_formula_sum '[Rb4 Zr4 Mn2 Se12]'
_cell_volume [656.0731]
_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  4  0.0000  0.1656  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3327  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Se  Se3  8  0.2301  0.1669  0.6856  1.0
  Se  Se4  4  0.2253  0.5000  0.6848  1.0
]