data_[K2Ta2Cr4]
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
  Cr  1.6600  1.4000  0.9400
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.3395]
_cell_length_b [2.8821]
_cell_length_c [8.5053]
_cell_angle_alpha [90.0000]
_cell_angle_beta [93.0255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [KTaCr2]
_chemical_formula_sum '[K2 Ta2 Cr4]'
_cell_volume [179.6594]
_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  2  0.0055  0.5000  0.5201  1
  Ta  Ta1  2  0.2289  0.5000  0.1451  1
  Cr  Cr2  2  0.2689  0.0000  0.8586  1
  Cr  Cr3  2  0.4967  0.5000  0.9762  1
]