data_[K3Mn3P6Se24]
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
  P  2.1900  1.0000  0.5500
  Se  2.5500  1.1500  1.0133
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [6.0578]
_cell_length_b [6.0578]
_cell_length_c [31.2012]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [148]
_chemical_formula_structural [KMn(PSe4)2]
_chemical_formula_sum '[K3 Mn3 P6 Se24]'
_cell_volume [991.6007]
_cell_formula_units_Z [3]
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  3  -0.0000  0.0000  0.5000  1
  Mn  Mn1  3  0.0000  0.0000  0.0000  1
  P  P2  6  0.0000  0.0000  0.2645  1
  Se  Se3  18  0.0042  0.6392  0.2860  1
  Se  Se4  6  0.0000  0.0000  0.1954  1
]