data_[Rb2Mg2P2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Mg  1.3100  1.5000  0.8600
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [6.4495]
_cell_length_b [7.1117]
_cell_length_c [9.3730]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4525]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbMgPSe4]
_chemical_formula_sum '[Rb2 Mg2 P2 Se8]'
_cell_volume [407.8097]
_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  2  0.2364  0.2500  0.0624  1.0
  Mg  Mg1  2  0.2353  0.2500  0.5550  1.0
  P  P2  2  0.2061  0.7500  0.3366  1.0
  Se  Se3  4  0.0219  0.0038  0.6981  1.0
  Se  Se4  2  0.3986  0.7500  0.1789  1.0
  Se  Se5  2  0.4416  0.7500  0.5670  1.0
]