data_KMg2Tl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.47
_cell_length_b   5.25
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Tl
_chemical_formula_sum   'K1 Mg2 Tl1'
_cell_volume   124.87
_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
  Mg  Mg1  1  0.96  0.63  0.08  1.0
  Mg  Mg2  1  0.19  0.63  0.77  1.0
  Tl  Tl3  1  0.08  0.0  0.42  1.0

data_KMg2Tl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.47
_cell_length_b   5.25
_cell_length_c   6.97
_cell_angle_alpha   90.0
_cell_angle_beta   100.93
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2Tl
_chemical_formula_sum   'K1 Mg2 Tl1'
_cell_volume   124.87
_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
  Mg  Mg1  1  0.19  0.63  0.77  1.0
  Mg  Mg2  1  0.96  0.63  0.08  1.0
  Tl  Tl3  1  0.08  0.0  0.42  1.0

K Mg Mg Tl