data_[Rb6Y4Mg2Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Y  1.2200  1.8000  1.0400
  Mg  1.3100  1.5000  0.8600
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2434]
_cell_length_b [12.5496]
_cell_length_c [8.3982]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7157]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Rb3Y2MgSe6]
_chemical_formula_sum '[Rb6 Y4 Mg2 Se12]'
_cell_volume [731.1581]
_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  0.1675  0.5000  1
  Rb  Rb1  2  0.0000  0.5000  0.5000  1
  Y  Y2  4  0.0000  0.3335  0.0000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  Se  Se4  8  0.2283  0.1639  0.1933  1
  Se  Se5  4  0.2367  0.5000  0.1938  1
]