# generated using pymatgen
data_MgScCu2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.80677237
_cell_length_b   11.80677237
_cell_length_c   11.80677237
_cell_angle_alpha   126.60807329
_cell_angle_beta   117.96192097
_cell_angle_gamma   86.26036348
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgScCu2
_chemical_formula_sum   'Mg1 Sc1 Cu2'
_cell_volume   1112.32610218
_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  0.00000000  0.00000000  0.00000000  1.0
  Sc  Sc1  1  0.00000000  0.50000000  0.50000000  1.0
  Cu  Cu2  1  0.00000000  0.25647300  0.25647300  1.0
  Cu  Cu3  1  0.00000000  0.74352700  0.74352700  1.0