data_[K2Sc2Mn2Te6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Sc  1.3600  1.6000  0.8850
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [9.4708]
_cell_length_b [4.3112]
_cell_length_c [10.3947]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.8776]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [KScMnTe3]
_chemical_formula_sum '[K2 Sc2 Mn2 Te6]'
_cell_volume [399.1383]
_cell_formula_units_Z [2]
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  2  0.2107  0.2500  0.2428  1.0
  Sc  Sc1  2  0.3325  0.7500  0.8616  1.0
  Mn  Mn2  2  0.0829  0.2500  0.6072  1.0
  Te  Te3  2  0.1174  0.2500  0.8706  1.0
  Te  Te4  2  0.2254  0.7500  0.5436  1.0
  Te  Te5  2  0.4640  0.7500  0.1576  1.0
]