# generated using pymatgen
data_Mg3Cu
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.64711411
_cell_length_b   5.64711411
_cell_length_c   5.64711411
_cell_angle_alpha   146.29609246
_cell_angle_beta   129.61011763
_cell_angle_gamma   61.99969118
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg3Cu
_chemical_formula_sum   'Mg3 Cu1'
_cell_volume   76.20032908
_cell_formula_units_Z   1
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  0.79946998  0.71771027  0.08175871  1.0
  Mg  Mg1  1  0.08408633  0.50000000  0.58408633  1.0
  Mg  Mg2  1  0.36404844  0.28228973  0.08175871  1.0
  Cu  Cu3  1  0.58572225  -0.00000000  0.58572225  1.0