data_[K1Cr1Tc2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  K  0.8200  2.2000  1.5200
  Cr  1.6600  1.4000  0.9400
  Tc  1.9000  1.3500  0.7417
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8448]
_cell_length_b [3.8301]
_cell_length_c [7.8370]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.1613]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [KCrTc2]
_chemical_formula_sum '[K1 Cr1 Tc2]'
_cell_volume [84.5235]
_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  0.4252  0.5000  0.7454  1
  Cr  Cr1  1  0.2398  0.0000  0.3873  1
  Tc  Tc2  1  0.1359  0.0000  0.1071  1
  Tc  Tc3  1  0.6990  0.5000  0.2602  1
]