# generated using pymatgen
data_PmScCu4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23215003
_cell_length_b   4.23215058
_cell_length_c   6.67265027
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmScCu4
_chemical_formula_sum   'Pm1 Sc1 Cu4'
_cell_volume   103.50257306
_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
  Pm  Pm0  1  0.00000000  0.00000000  0.50000100  1.0
  Sc  Sc1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.66666700  0.33333400  0.20675529  1.0
  Cu  Cu3  1  0.33333300  0.66666500  0.20675529  1.0
  Cu  Cu4  1  0.66666700  0.33333400  0.79324471  1.0
  Cu  Cu5  1  0.33333300  0.66666500  0.79324471  1.0