# generated using pymatgen
data_Mg6CuC
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.24361014
_cell_length_b   6.24361014
_cell_length_c   3.70711900
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   95.93447792
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg6CuC
_chemical_formula_sum   'Mg6 Cu1 C1'
_cell_volume   143.73890889
_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  0.39051900  0.10047500  0.50000000  1.0
  Mg  Mg1  1  0.89952500  0.60948100  0.50000000  1.0
  Mg  Mg2  1  0.21190300  0.44293100  0.00000000  1.0
  Mg  Mg3  1  0.55706900  0.78809700  0.00000000  1.0
  Mg  Mg4  1  0.69654900  0.30345100  0.00000000  1.0
  Mg  Mg5  1  0.09874200  0.90125800  0.00000000  1.0
  Cu  Cu6  1  0.88861700  0.11138300  0.50000000  1.0
  C  C7  1  0.25707500  0.74292500  0.50000000  1.0