data_KTaCr2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.86
_cell_length_b   4.28
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   99.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCr2
_chemical_formula_sum   'K1 Ta1 Cr2'
_cell_volume   89.69
_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
  Ta  Ta3  1  0.82  0.0  0.66  1.0
  Cr  Cr0  1  0.67  0.14  0.62  1.0
  Cr  Cr1  1  0.97  0.14  0.71  1.0

data_KTaCr2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.28
_cell_length_c   7.43
_cell_angle_alpha   90.0
_cell_angle_beta   99.46
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KTaCr2
_chemical_formula_sum   'K1 Ta1 Cr2'
_cell_volume   89.69
_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
  Ta  Ta1  1  0.82  0.0  0.66  1.0
  Cr  Cr2  1  0.67  0.14  0.62  1.0
  Cr  Cr3  1  0.97  0.14  0.71  1.0

K Ta Cr Cr