data_HoMgIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.49
_cell_length_b   7.49
_cell_length_c   4.66
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMgIn
_chemical_formula_sum   'Ho3 Mg3 In3'
_cell_volume   226.53
_cell_formula_units_Z   3
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
  Ho  Ho0  1  0.24  0.0  0.0  1.0
  Ho  Ho1  1  0.63  0.82  0.0  1.0
  Ho  Ho2  1  0.88  0.67  0.0  1.0
  Mg  Mg6  1  0.81  0.0  0.33  1.0
  Mg  Mg7  1  0.1  0.57  0.33  1.0
  Mg  Mg8  1  0.84  0.92  0.33  1.0
  In  In3  1  0.0  0.0  0.0  1.0
  In  In4  1  0.75  0.16  0.33  1.0
  In  In5  1  0.0  0.33  0.33  1.0

data_HoMgIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.66
_cell_length_b   7.49
_cell_length_c   7.49
_cell_angle_alpha   120.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   HoMgIn
_chemical_formula_sum   'Ho3 Mg3 In3'
_cell_volume   226.53
_cell_formula_units_Z   3
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
  Ho  Ho0  1  -0.0  0.63  0.82  1.0
  Ho  Ho1  1  -0.0  0.88  0.67  1.0
  Ho  Ho2  1  0.0  0.24  0.0  1.0
  Mg  Mg3  1  0.33  0.1  0.57  1.0
  Mg  Mg4  1  0.33  0.81  0.0  1.0
  Mg  Mg5  1  0.33  0.84  0.92  1.0
  In  In6  1  0.0  0.0  0.0  1.0
  In  In7  1  0.33  -0.0  0.33  1.0
  In  In8  1  0.33  0.75  0.16  1.0

Ho Ho Ho Mg Mg Mg In In In
Ho Ho Ho Mg Mg Mg In In In 0 6 o o o 0 2 - - o 1 6 + + o 1 3 o + o 1 5 o o o 1 2 o o o 2 6 + + o 2 5 o o o 2 4 + o o 3 5 o - o 3 6 + o o 3 7 o o o 4 8 o o o 5 6 + + o 7 8 + o o 