# generated using pymatgen
data_Mg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.17132030
_cell_length_b   5.17131940
_cell_length_c   9.46386812
_cell_angle_alpha   97.99123972
_cell_angle_beta   97.99124139
_cell_angle_gamma   119.41697827
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Cu
_chemical_formula_sum   'Mg8 Cu4'
_cell_volume   211.91798585
_cell_formula_units_Z   4
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  1  0.45878108  0.70878108  0.41756217  1.0
  Mg  Mg1  1  0.29121892  0.54121892  0.08243783  1.0
  Mg  Mg2  1  0.54121892  0.29121892  0.58243783  1.0
  Mg  Mg3  1  0.70878108  0.45878108  0.91756217  1.0
  Mg  Mg4  1  0.29107299  0.70892701  0.75000000  1.0
  Mg  Mg5  1  0.95892701  0.04107299  0.75000000  1.0
  Mg  Mg6  1  0.70892701  0.29107299  0.25000000  1.0
  Mg  Mg7  1  0.04107299  0.95892701  0.25000000  1.0
  Cu  Cu8  1  0.00171474  0.25171474  0.50342849  1.0
  Cu  Cu9  1  0.74828526  0.99828526  0.99657151  1.0
  Cu  Cu10  1  0.99828526  0.74828526  0.49657151  1.0
  Cu  Cu11  1  0.25171474  0.00171474  0.00342849  1.0