data_[Li7Mg3In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Li  0.9800  1.4500  0.9000
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [6.0638]
_cell_length_b [6.0638]
_cell_length_c [7.4080]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [156]
_chemical_formula_structural [Li7Mg3In]
_chemical_formula_sum '[Li7 Mg3 In1]'
_cell_volume [235.8944]
_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
[
  Li  Li0  3  0.1664  0.3329  0.8829  1
  Li  Li1  3  0.3296  0.1648  0.5500  1
  Li  Li2  1  0.6667  0.3333  0.8832  1
  Mg  Mg3  3  0.5003  0.0005  0.2127  1
  In  In4  1  0.3333  0.6667  0.5646  1
]