# generated using pymatgen
data_MgTi(CuS)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.57727575
_cell_length_b   5.57727610
_cell_length_c   6.79749576
_cell_angle_alpha   114.22022320
_cell_angle_beta   114.22021944
_cell_angle_gamma   89.99998974
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgTi(CuS)4
_chemical_formula_sum   'Mg1 Ti1 Cu4 S4'
_cell_volume   172.21872691
_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  0.75000000  0.25000000  0.50000000  1.0
  Ti  Ti1  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.49947400  0.99947400  0.99894900  1.0
  Cu  Cu3  1  0.00052600  0.50052600  0.00105100  1.0
  Cu  Cu4  1  0.25550800  0.25550800  0.51101400  1.0
  Cu  Cu5  1  0.74449200  0.74449200  0.48898600  1.0
  S  S6  1  0.88185900  0.86919300  0.25095600  1.0
  S  S7  1  0.61823600  0.11814100  0.74904400  1.0
  S  S8  1  0.13080700  0.63090100  0.74904400  1.0
  S  S9  1  0.36909900  0.38176400  0.25095600  1.0