data_[Mg2Cu28Si2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Cu  1.9000  1.3500  0.8200
  Si  1.9000  1.1000  0.5400
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [8.3855]
_cell_length_b [5.4411]
_cell_length_c [8.6457]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [38]
_chemical_formula_structural [MgCu14Si]
_chemical_formula_sum '[Mg2 Cu28 Si2]'
_cell_volume [394.4663]
_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  2  0.5000  0.0000  0.0621  1
  Cu  Cu1  8  0.2460  0.2434  0.6241  1
  Cu  Cu2  4  0.0000  0.2436  0.4429  1
  Cu  Cu3  4  0.2417  0.0000  0.8754  1
  Cu  Cu4  4  0.2544  0.0000  0.3718  1
  Cu  Cu5  4  0.5000  0.2421  0.8080  1
  Cu  Cu6  2  0.0000  0.0000  0.1917  1
  Cu  Cu7  2  0.0000  0.0000  0.6946  1
  Si  Si8  2  0.5000  0.0000  0.5590  1
]