data_[K2Zr1Pa1Te4]
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
  Pa  1.5000  1.8000  1.0400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.3568]
_cell_length_b [4.3160]
_cell_length_c [8.8708]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4139]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [K2ZrPaTe4]
_chemical_formula_sum '[K2 Zr1 Pa1 Te4]'
_cell_volume [270.1854]
_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
  Zr  Zr2  1  0.5000  0.5000  0.0000  1
  Pa  Pa3  1  0.0000  0.0000  0.0000  1
  Te  Te4  2  0.2487  0.5000  0.2140  1
  Te  Te5  2  0.2743  0.0000  0.7932  1
]