data_[Rb2Ce1Er1Se4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ce  1.1200  1.8500  1.0800
  Er  1.2400  1.7500  1.0300
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.4729]
_cell_length_b [4.3139]
_cell_length_c [8.3513]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.2992]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Rb2CeErSe4]
_chemical_formula_sum '[Rb2 Ce1 Er1 Se4]'
_cell_volume [257.0448]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1.0
  Rb  Rb1  1  0.5000  0.0000  0.5000  1.0
  Ce  Ce2  1  0.5000  0.5000  0.0000  1.0
  Er  Er3  1  0.0000  0.0000  0.0000  1.0
  Se  Se4  2  0.2222  0.5000  0.1947  1.0
  Se  Se5  2  0.2572  0.0000  0.8021  1.0
]