data_[K6Pa2Cr4Te12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Pa  1.5000  1.8000  1.0400
  Cr  1.6600  1.4000  0.9400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.3960]
_cell_length_b [12.7984]
_cell_length_c [8.6095]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.7110]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [K3Pa(CrTe3)2]
_chemical_formula_sum '[K6 Pa2 Cr4 Te12]'
_cell_volume [780.5352]
_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  0.1613  0.5000  1
  K  K1  2  0.0000  0.5000  0.5000  1
  Pa  Pa2  2  0.0000  0.0000  0.0000  1
  Cr  Cr3  4  0.0000  0.3328  0.0000  1
  Te  Te4  8  0.2404  0.1756  0.1947  1
  Te  Te5  4  0.2130  0.5000  0.1928  1
]