data_[Rb4P4H4Se12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  P  2.1900  1.0000  0.5500
  H  2.2000  0.2500  0.0000
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0733]
_cell_length_b [7.5637]
_cell_length_c [7.1113]
_cell_angle_alpha [90.0000]
_cell_angle_beta [104.6620]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [RbPHSe3]
_chemical_formula_sum '[Rb4 P4 H4 Se12]'
_cell_volume [680.2754]
_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  0.2010  0.5000  0.2048  1.0
  P  P1  4  0.0286  0.0000  0.1671  1.0
  H  H2  4  0.0000  0.2252  0.5000  1.0
  Se  Se3  8  0.0483  0.2443  0.7568  1.0
  Se  Se4  4  0.1993  0.0000  0.2572  1.0
]