# generated using pymatgen
data_MgTi(CuS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.71842611
_cell_length_b   5.71842648
_cell_length_c   6.44421314
_cell_angle_alpha   112.10920516
_cell_angle_beta   112.10920578
_cell_angle_gamma   88.66474028
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi(CuS)4
_chemical_formula_sum   'Mg1 Ti1 Cu4 S4'
_cell_volume   179.14951695
_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  0.57754200  0.57754200  0.70944500  1.0
  Ti  Ti1  1  0.97782000  0.97782000  0.96207000  1.0
  Cu  Cu2  1  0.49998000  0.01811500  0.02021700  1.0
  Cu  Cu3  1  0.01811500  0.49998000  0.02021700  1.0
  Cu  Cu4  1  0.20733100  0.20733100  0.46768500  1.0
  Cu  Cu5  1  0.74734600  0.74734600  0.47307000  1.0
  S  S6  1  0.88861700  0.88861700  0.25477300  1.0
  S  S7  1  0.64580400  0.18429000  0.79044200  1.0
  S  S8  1  0.18429000  0.64580400  0.79044200  1.0
  S  S9  1  0.35315400  0.35315400  0.24164100  1.0