data_[Rb2In2P4Se14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Rb  0.8200  2.3500  1.6600
  In  1.7800  1.5500  0.9400
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.4569]
_cell_length_b [10.6582]
_cell_length_c [7.2186]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.4640]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [RbInP2Se7]
_chemical_formula_sum '[Rb2 In2 P4 Se14]'
_cell_volume [710.4342]
_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  0.0000  0.9804  0.5000  1.0
  In  In1  2  0.0000  0.5095  0.0000  1.0
  P  P2  4  0.2063  0.8490  0.0841  1.0
  Se  Se3  4  0.1553  0.4771  0.7152  1.0
  Se  Se4  4  0.1630  0.6817  0.2456  1.0
  Se  Se5  4  0.1986  0.3193  0.1651  1.0
  Se  Se6  2  0.0000  0.9745  0.0000  1.0
]