data_[Rb16Ta8Mn8Se32]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Fddd]
_cell_length_a [5.7780]
_cell_length_b [14.4944]
_cell_length_c [25.5615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [70]
_chemical_formula_structural [Rb2TaMnSe4]
_chemical_formula_sum '[Rb16 Ta8 Mn8 Se32]'
_cell_volume [2140.7664]
_cell_formula_units_Z [8]
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  16  0.0000  0.0000  0.1775  1.0
  Ta  Ta1  8  0.0000  0.0000  0.5000  1.0
  Mn  Mn2  8  0.0000  0.0000  0.0000  1.0
  Se  Se3  32  0.0067  0.1501  0.6951  1.0
]