data_[K2Rb2Be2S4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Rb  0.8200  2.3500  1.6600
  Be  1.5700  1.0500  0.5900
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [Pccm]
_cell_length_a [6.4587]
_cell_length_b [6.8997]
_cell_length_c [8.8147]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [49]
_chemical_formula_structural [KRbBeS2]
_chemical_formula_sum '[K2 Rb2 Be2 S4]'
_cell_volume [392.8113]
_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
[
  K  K0  2  0.0000  0.0000  0.2500  1.0
  Rb  Rb1  2  0.5000  0.5000  0.2500  1.0
  Be  Be2  2  0.5000  0.0000  0.0000  1.0
  S  S3  4  0.2949  0.1926  0.0000  1.0
]