data_[Mg4In2]
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
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3898]
_cell_length_b [3.2974]
_cell_length_c [8.2194]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.2299]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Mg2In]
_chemical_formula_sum '[Mg4 In2]'
_cell_volume [140.2533]
_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  0.1676  0.0000  0.2277  1.0
  Mg  Mg1  1  0.1880  0.5000  0.8902  1.0
  Mg  Mg2  1  0.4530  0.5000  0.5670  1.0
  Mg  Mg3  1  0.6555  0.5000  0.2307  1.0
  In  In4  1  0.6964  0.0000  0.9062  1.0
  In  In5  1  0.9474  0.0000  0.5516  1.0
]