data_[K1Ta2Zn1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Ta  1.5000  1.4500  0.8200
  Zn  1.6500  1.3500  0.8800
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [2.9664]
_cell_length_b [3.7246]
_cell_length_c [8.6968]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [KTa2Zn]
_chemical_formula_sum '[K1 Ta2 Zn1]'
_cell_volume [96.0871]
_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  0.7254  1
  Ta  Ta1  1  0.0000  0.0000  0.0852  1
  Ta  Ta2  1  0.5000  0.5000  0.2612  1
  Zn  Zn3  1  0.0000  0.0000  0.4282  1
]