data_[Rb4Mn4Se8]
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
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [7.5389]
_cell_length_b [12.1328]
_cell_length_c [5.4914]
_cell_angle_alpha [90.0000]
_cell_angle_beta [111.4595]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [RbMnSe2]
_chemical_formula_sum '[Rb4 Mn4 Se8]'
_cell_volume [467.4748]
_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  0.0000  0.3594  0.2500  1
  Mn  Mn1  4  0.0000  0.0004  0.7500  1
  Se  Se2  8  0.1886  0.1087  0.0957  1
]