data_[K1Ta1Co2]
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
  Co  1.8800  1.3500  0.7683
]
_symmetry_space_group_name_H-M [P4mm]
_cell_length_a [3.0758]
_cell_length_b [3.0758]
_cell_length_c [8.4125]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [99]
_chemical_formula_structural [KTaCo2]
_chemical_formula_sum '[K1 Ta1 Co2]'
_cell_volume [79.5887]
_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  0.0000  0.4606  1
  Ta  Ta1  1  0.5000  0.5000  0.8585  1
  Co  Co2  1  0.0000  0.0000  0.0337  1
  Co  Co3  1  0.5000  0.5000  0.1473  1
]