data_[K4Mn1Si1Se6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Mn  1.5500  1.4000  0.6483
  Si  1.9000  1.1000  0.5400
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [6.8491]
_cell_length_b [7.3953]
_cell_length_c [8.8923]
_cell_angle_alpha [72.7700]
_cell_angle_beta [70.4861]
_cell_angle_gamma [65.9602]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [K4MnSiSe6]
_chemical_formula_sum '[K4 Mn1 Si1 Se6]'
_cell_volume [380.9444]
_cell_formula_units_Z [1]
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  1  0.1502  0.4667  0.6859  1
  K  K1  1  0.3911  0.8067  0.8865  1
  K  K2  1  0.6027  0.1992  0.1220  1
  K  K3  1  0.8453  0.5384  0.3211  1
  Mn  Mn4  1  0.8692  0.0557  0.6709  1
  Si  Si5  1  0.1338  0.9405  0.3162  1
  Se  Se6  1  0.1271  0.1828  0.0930  1
  Se  Se7  1  0.2340  0.0250  0.5090  1
  Se  Se8  1  0.3317  0.6205  0.2840  1
  Se  Se9  1  0.6717  0.3713  0.7285  1
  Se  Se10  1  0.7766  0.9608  0.4721  1
  Se  Se11  1  0.8668  0.8325  0.9106  1
]