data_[K2Ac1Nd1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ac  1.1000  1.9500  1.2600
  Nd  1.1400  1.8500  1.2765
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.2066]
_cell_length_b [4.7343]
_cell_length_c [8.7057]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.2372]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2AcNdTe4]
_chemical_formula_sum '[K2 Ac1 Nd1 Te4]'
_cell_volume [321.2479]
_cell_formula_units_Z [1]
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  1  0.0000  0.5000  0.5000  1
  K  K1  1  0.5000  0.0000  0.5000  1
  Ac  Ac2  1  0.0000  0.0000  0.0000  1
  Nd  Nd3  1  0.5000  0.5000  0.0000  1
  Te  Te4  2  0.2506  0.5000  0.2212  1
  Te  Te5  2  0.2710  0.0000  0.7842  1
]