data_[K1Ba2Pr1Te4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ba  0.8900  2.1500  1.4900
  Pr  1.1300  1.8500  1.0600
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [8.3432]
_cell_length_b [4.8595]
_cell_length_c [8.5098]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.6949]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [KBa2PrTe4]
_chemical_formula_sum '[K1 Ba2 Pr1 Te4]'
_cell_volume [326.8187]
_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  0.5000  0.5000  0.0000  1.0
  Ba  Ba1  1  0.0000  0.0000  0.0000  1.0
  Ba  Ba2  1  0.0000  0.5000  0.5000  1.0
  Pr  Pr3  1  0.5000  0.0000  0.5000  1.0
  Te  Te4  2  0.2622  0.0000  0.7342  1.0
  Te  Te5  2  0.2714  0.5000  0.2697  1.0
]