# generated using pymatgen
data_Mg2Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.21466743
_cell_length_b   5.21466743
_cell_length_c   5.21466743
_cell_angle_alpha   120.31482804
_cell_angle_beta   104.25078804
_cell_angle_gamma   104.42321552
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2Cu
_chemical_formula_sum   'Mg4 Cu2'
_cell_volume   106.17945019
_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  1  0.50006461  0.83211108  0.66795453  1.0
  Mg  Mg1  1  0.49993539  0.16788892  0.33204547  1.0
  Mg  Mg2  1  0.16415655  0.33211108  0.83204547  1.0
  Mg  Mg3  1  0.83584345  0.66788892  0.16795453  1.0
  Cu  Cu4  1  -0.00000000  0.25000000  0.25000000  1.0
  Cu  Cu5  1  -0.00000000  0.75000000  0.75000000  1.0