data_MgIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.61
_cell_length_b   5.61
_cell_length_c   3.32
_cell_angle_alpha   96.14
_cell_angle_beta   96.14
_cell_angle_gamma   98.13
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Cl
_chemical_formula_sum   'Mg1 In2 Cl1'
_cell_volume   102.08
_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
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  In  In1  1  0.57  0.12  0.64  1.0
  In  In2  1  0.57  0.88  0.64  1.0
  Cl  Cl0  1  0.68  0.0  0.0  1.0

data_MgIn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.32
_cell_length_b   5.61
_cell_length_c   5.61
_cell_angle_alpha   98.13
_cell_angle_beta   96.14
_cell_angle_gamma   96.14
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Cl
_chemical_formula_sum   'Mg1 In2 Cl1'
_cell_volume   102.08
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.64  0.57  0.12  1.0
  In  In2  1  0.64  0.57  0.88  1.0
  Cl  Cl3  1  0.0  0.68  0.0  1.0

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