# generated using pymatgen
data_MgTi(CuS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.51921196
_cell_length_b   5.51921185
_cell_length_c   6.83621371
_cell_angle_alpha   113.80809910
_cell_angle_beta   113.80809353
_cell_angle_gamma   89.99999619
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi(CuS)4
_chemical_formula_sum   'Mg1 Ti1 Cu4 S4'
_cell_volume   170.97393134
_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  0.50000000  0.50000000  0.00000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu3  1  0.00000000  0.50000000  0.00000000  1.0
  Cu  Cu4  1  0.25246000  0.25246000  0.50491800  1.0
  Cu  Cu5  1  0.74754000  0.74754000  0.49508200  1.0
  S  S6  1  0.88466800  0.88466800  0.26113600  1.0
  S  S7  1  0.62353100  0.11533200  0.73886400  1.0
  S  S8  1  0.11533200  0.62353100  0.73886400  1.0
  S  S9  1  0.37646900  0.37646900  0.26113600  1.0