data_[K3Ni1Te3]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ni  1.9100  1.3500  0.7400
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7702]
_cell_length_b [14.9483]
_cell_length_c [18.6015]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [K3NiTe3]
_chemical_formula_sum '[K3 Ni1 Te3]'
_cell_volume [1326.4027]
_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  2  0.0000  0.2222  0.4433  1
  K  K1  1  0.0000  0.0000  0.6166  1
  Ni  Ni2  1  0.5000  0.0000  0.4783  1
  Te  Te3  2  0.5000  0.1479  0.5478  1
  Te  Te4  1  0.0000  0.0000  0.4230  1
]