data_[K16Mn16Te24]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/c]
_cell_length_a [17.6903]
_cell_length_b [16.0412]
_cell_length_c [7.7281]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.5911]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [15]
_chemical_formula_structural [K2Mn2Te3]
_chemical_formula_sum '[K16 Mn16 Te24]'
_cell_volume [1977.8964]
_cell_formula_units_Z [8]
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  8  0.1068  0.0890  0.5811  1
  K  K1  4  0.0000  0.2859  0.7500  1
  K  K2  4  0.0000  0.4386  0.2500  1
  Mn  Mn3  8  0.1923  0.2673  0.2620  1
  Mn  Mn4  8  0.2228  0.4250  0.7988  1
  Te  Te5  8  0.1143  0.1250  0.0760  1
  Te  Te6  8  0.1444  0.2945  0.5553  1
  Te  Te7  8  0.1673  0.4249  0.0859  1
]