data_[Rb4Yb4Mg4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Yb  1.1000  1.7500  1.0840
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4019]
_cell_length_b [15.1021]
_cell_length_c [11.1899]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [RbYbMgSe3]
_chemical_formula_sum '[Rb4 Yb4 Mg4 Se12]'
_cell_volume [743.8712]
_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  0.2439  0.2500  1
  Yb  Yb1  4  0.0000  0.5000  0.0000  1
  Mg  Mg2  4  0.0000  0.0288  0.7500  1
  Se  Se3  8  0.0000  0.1214  0.5578  1
  Se  Se4  4  0.0000  0.4365  0.7500  1
]