data_[K4Zr4Mn2Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Zr  1.3300  1.5500  0.8600
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.2194]
_cell_length_b [12.5626]
_cell_length_c [8.8167]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2807]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K2Zr2MnTe6]
_chemical_formula_sum '[K4 Zr4 Mn2 Te12]'
_cell_volume [767.5674]
_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  4  0.0000  0.1667  0.0000  1.0
  Zr  Zr1  4  0.0000  0.3316  0.5000  1.0
  Mn  Mn2  2  0.0000  0.0000  0.5000  1.0
  Te  Te3  8  0.2338  0.1644  0.6967  1.0
  Te  Te4  4  0.2336  0.5000  0.6940  1.0
]