data_[La2Mg12In7]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  La  1.1000  1.9500  1.1720
  Mg  1.3100  1.5000  0.8600
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [11.6667]
_cell_length_b [11.6667]
_cell_length_c [4.5405]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [La2Mg12In7]
_chemical_formula_sum '[La2 Mg12 In7]'
_cell_volume [535.2191]
_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
[
  La  La0  2  0.3333  0.6667  0.2610  1
  Mg  Mg1  6  0.0409  0.4286  0.7504  1
  Mg  Mg2  6  0.1097  0.2676  0.2451  1
  In  In3  6  0.1365  0.7113  0.7520  1
  In  In4  1  0.0000  0.0000  0.5000  1
]