data_[K2Rb2Mn2Se4S2]
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
  Mn  1.5500  1.4000  0.6483
  Se  2.5500  1.1500  1.0133
  S  2.5800  1.0000  0.8800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9196]
_cell_length_b [7.4992]
_cell_length_c [8.6816]
_cell_angle_alpha [74.1912]
_cell_angle_beta [68.0961]
_cell_angle_gamma [65.1562]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [KRbMnSe2S]
_chemical_formula_sum '[K2 Rb2 Mn2 Se4 S2]'
_cell_volume [375.6997]
_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  0.0928  0.1893  0.1409  1
  Rb  Rb1  2  0.3283  0.5721  0.3143  1
  Mn  Mn2  2  0.3870  0.0492  0.6566  1
  Se  Se3  2  0.1796  0.3561  0.7319  1
  Se  Se4  2  0.3746  0.8355  0.8972  1
  S  S5  2  0.2725  0.9741  0.4880  1
]