data_[K2Pu1Mn1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pu  1.2800  1.7500  0.9675
  Mn  1.5500  1.4000  0.6483
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.7116]
_cell_length_b [4.3750]
_cell_length_c [8.5342]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.5580]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2PuMnTe4]
_chemical_formula_sum '[K2 Pu1 Mn1 Te4]'
_cell_volume [274.5153]
_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
  Pu  Pu2  1  0.5000  0.5000  0.0000  1
  Mn  Mn3  1  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.2094  0.5000  0.1854  1
  Te  Te5  2  0.2555  0.0000  0.7941  1
]