# generated using pymatgen
data_FeCu3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.16888392
_cell_length_b   5.16888392
_cell_length_c   4.15989953
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   FeCu3
_chemical_formula_sum   'Fe2 Cu6'
_cell_volume   96.25139478
_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
  Fe  Fe0  1  0.33333300  0.66666700  0.75000000  1
  Fe  Fe1  1  0.66666700  0.33333300  0.25000000  1
  Cu  Cu2  1  0.16677600  0.33355100  0.25000000  1
  Cu  Cu3  1  0.66644900  0.83322400  0.25000000  1
  Cu  Cu4  1  0.16677600  0.83322400  0.25000000  1
  Cu  Cu5  1  0.83322400  0.66644900  0.75000000  1
  Cu  Cu6  1  0.33355100  0.16677600  0.75000000  1
  Cu  Cu7  1  0.83322400  0.16677600  0.75000000  1
