data_[K4Hf4Mn4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Hf  1.3000  1.5500  0.8500
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.1318]
_cell_length_b [16.1269]
_cell_length_c [10.8740]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [KHfMnTe3]
_chemical_formula_sum '[K4 Hf4 Mn4 Te12]'
_cell_volume [724.5627]
_cell_formula_units_Z [4]
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  4  0.0000  0.2460  0.7500  1
  Hf  Hf1  4  0.0000  0.0000  0.0000  1
  Mn  Mn2  4  0.0000  0.4664  0.2500  1
  Te  Te3  8  0.0000  0.3748  0.0486  1
  Te  Te4  4  0.0000  0.0726  0.2500  1
]