data_[Rb4Na4P4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Na  0.9300  1.8000  1.1600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.8968]
_cell_length_b [7.8025]
_cell_length_c [8.2228]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.2481]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbNaPSe3]
_chemical_formula_sum '[Rb4 Na4 P4 Se12]'
_cell_volume [823.9680]
_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  0.1643  0.5000  0.8818  1.0
  Na  Na1  4  0.0000  0.2049  0.5000  1.0
  P  P2  4  0.0173  0.0000  0.1410  1.0
  Se  Se3  8  0.1061  0.2364  0.2060  1.0
  Se  Se4  4  0.1332  0.0000  0.7492  1.0
]