data_[K12Sm9Mn3Te24]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sm  1.1700  1.8500  1.2290
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [8.9778]
_cell_length_b [8.9778]
_cell_length_c [24.7534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [166]
_chemical_formula_structural [K4Sm3MnTe8]
_chemical_formula_sum '[K12 Sm9 Mn3 Te24]'
_cell_volume [1727.8464]
_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  9  0.0000  0.5000  0.5000  1
  K  K1  3  -0.0000  -0.0000  0.5000  1
  Sm  Sm2  9  0.0000  0.5000  0.0000  1
  Mn  Mn3  3  -0.0000  -0.0000  0.0000  1
  Te  Te4  18  0.0212  0.5106  0.7340  1
  Te  Te5  6  0.0000  0.0000  0.2614  1
]