data_[Rb2Ca2P2Se8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  Ca  1.0000  1.8000  1.1400
  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 [6.8360]
_cell_length_b [7.0682]
_cell_length_c [9.4442]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.9127]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [RbCaPSe4]
_chemical_formula_sum '[Rb2 Ca2 P2 Se8]'
_cell_volume [434.2084]
_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  0.2513  0.2500  0.0641  1.0
  Ca  Ca1  2  0.2370  0.2500  0.5492  1.0
  P  P2  2  0.2044  0.7500  0.3262  1.0
  Se  Se3  4  0.0059  0.0004  0.7140  1.0
  Se  Se4  2  0.3968  0.7500  0.1750  1.0
  Se  Se5  2  0.3971  0.7500  0.5628  1.0
]