data_[Mg14In10]
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 [C2/m]
_cell_length_a [16.1127]
_cell_length_b [3.4602]
_cell_length_c [11.9157]
_cell_angle_alpha [90.0000]
_cell_angle_beta [120.7091]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Mg7In5]
_chemical_formula_sum '[Mg14 In10]'
_cell_volume [571.1748]
_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  4  0.0290  0.0000  0.7547  1.0
  Mg  Mg1  4  0.1434  0.5000  0.2510  1.0
  Mg  Mg2  4  0.1661  0.5000  0.0024  1.0
  Mg  Mg3  2  0.0000  0.5000  0.5000  1.0
  In  In4  4  0.1627  0.0000  0.4941  1.0
  In  In5  4  0.1923  0.5000  0.7568  1.0
  In  In6  2  0.0000  0.0000  0.0000  1.0
]