data_KMg2In
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   91.35
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KMg2In
_chemical_formula_sum   'K1 Mg2 In1'
_cell_volume   128.47
_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  K1  1  0.0  0.0  0.0  1.0
  Mg  Mg2  1  0.62  0.0  0.92  1.0
  Mg  Mg3  1  0.62  0.0  0.22  1.0
  In  In0  1  0.0  0.0  0.57  1.0

data_KMg2In
_symmetry_space_group_name_H-M   Pm
_cell_length_a   3.75
_cell_length_b   3.75
_cell_length_c   9.14
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   KMg2In
_chemical_formula_sum   'K1 Mg2 In1'
_cell_volume   128.51
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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  0.62  0.0  0.22  1.0
  Mg  Mg2  1  0.62  0.0  0.92  1.0
  In  In3  1  0.0  0.0  0.57  1.0

K Mg Mg In
K Mg Mg In 0 1 - o - 0 2 o o o 0 2 - o o 0 3 o o - 1 2 o o + 1 3 + o o 1 3 o o o 2 3 + o o 2 3 o o o 3 3 o + o 3 3 + o o 