data_[Mg2Cu10]
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
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.6218]
_cell_length_b [2.7221]
_cell_length_c [6.1024]
_cell_angle_alpha [90.0000]
_cell_angle_beta [106.4594]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [MgCu5]
_chemical_formula_sum '[Mg2 Cu10]'
_cell_volume [153.2830]
_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  0.3798  0.0000  0.2636  1.0
  Cu  Cu1  2  0.0143  0.0000  0.0047  1.0
  Cu  Cu2  2  0.0532  0.0000  0.6102  1.0
  Cu  Cu3  2  0.1647  0.5000  0.3513  1.0
  Cu  Cu4  2  0.2172  0.5000  0.9215  1.0
  Cu  Cu5  2  0.3409  0.0000  0.6821  1.0
]