data_[Mg2In2Cl2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
  Cl  3.1600  1.0000  0.7800
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [3.5581]
_cell_length_b [3.6139]
_cell_length_c [13.4437]
_cell_angle_alpha [85.6796]
_cell_angle_beta [89.7007]
_cell_angle_gamma [60.5089]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgInCl]
_chemical_formula_sum '[Mg2 In2 Cl2]'
_cell_volume [149.9407]
_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  0.0168  0.6621  0.6165  1
  Mg  Mg1  1  0.6011  0.4676  0.1343  1
  In  In2  1  0.3613  0.9636  0.7855  1
  In  In3  1  0.8950  0.8882  0.9656  1
  Cl  Cl4  1  0.2872  0.0925  0.2392  1
  Cl  Cl5  1  0.6691  0.3618  0.5116  1
]