data_MgIn
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn
_chemical_formula_sum   'Mg2 In2'
_cell_volume   125.54
_cell_formula_units_Z   2
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
  Mg  Mg2  1  0.5  0.44  0.37  1.0
  Mg  Mg3  1  0.0  0.88  0.46  1.0
  In  In0  1  0.5  0.44  0.61  1.0
  In  In1  1  0.0  0.88  0.52  1.0

data_MgIn
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.99
_cell_length_b   4.99
_cell_length_c   5.82
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   120.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn
_chemical_formula_sum   'Mg2 In2'
_cell_volume   125.54
_cell_formula_units_Z   2
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
  Mg  Mg0  1  0.0  0.88  0.46  1.0
  Mg  Mg1  1  0.5  0.44  0.37  1.0
  In  In2  1  0.0  0.88  0.52  1.0
  In  In3  1  0.5  0.44  0.61  1.0

Mg Mg In In
Mg Mg In In 0 2 o o o 1 3 o o o 