data_KTlCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.4
_cell_length_b   6.4
_cell_length_c   6.4
_cell_angle_alpha   149.32
_cell_angle_beta   125.61
_cell_angle_gamma   63.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlCr2
_chemical_formula_sum   'K1 Tl1 Cr2'
_cell_volume   107.53
_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  K2  1  0.0  0.0  0.0  1.0
  Tl  Tl3  1  0.0  0.0  0.43  1.0
  Cr  Cr0  1  0.69  0.0  0.09  1.0
  Cr  Cr1  1  0.0  0.92  0.34  1.0

data_KTlCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.39
_cell_length_b   5.85
_cell_length_c   6.4
_cell_angle_alpha   117.19
_cell_angle_beta   105.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTlCr2
_chemical_formula_sum   'K1 Tl1 Cr2'
_cell_volume   107.53
_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  0.0  0.0  0.0  1.0
  Tl  Tl1  1  0.57  0.57  0.57  1.0
  Cr  Cr2  1  0.6  0.91  0.6  1.0
  Cr  Cr3  1  0.66  0.59  0.59  1.0

K Tl Cr Cr