data_MgIn2Cl
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91
_cell_length_b   4.43
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Cl
_chemical_formula_sum   'Mg1 In2 Cl1'
_cell_volume   106.33
_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  0.69  1.0
  In  In1  1  0.0  0.0  0.48  1.0
  In  In2  1  0.95  0.21  0.13  1.0
  Cl  Cl0  1  0.95  0.21  0.93  1.0

data_MgIn2Cl
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.91
_cell_length_b   4.43
_cell_length_c   6.15
_cell_angle_alpha   90.0
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgIn2Cl
_chemical_formula_sum   'Mg1 In2 Cl1'
_cell_volume   106.33
_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  0.69  1.0
  In  In1  1  0.0  0.0  0.48  1.0
  In  In2  1  0.95  0.21  0.13  1.0
  Cl  Cl3  1  0.95  0.21  0.93  1.0

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