# generated using pymatgen
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55009412
_cell_length_b   5.55009610
_cell_length_c   7.08675328
_cell_angle_alpha   113.05299694
_cell_angle_beta   113.05300429
_cell_angle_gamma   89.99998706
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2WS4
_chemical_formula_sum   'Mg1 Cu2 W1 S4'
_cell_volume   181.76783719
_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  0.25000000  0.75000000  0.50000000  1.0
  Cu  Cu1  1  0.50718700  0.00718700  0.01437400  1.0
  Cu  Cu2  1  0.99281300  0.49281300  0.98562600  1.0
  W  W3  1  0.00000000  0.00000000  0.00000000  1.0
  S  S4  1  0.87821000  0.86381900  0.22635000  1.0
  S  S5  1  0.34814000  0.36253100  0.22635000  1.0
  S  S6  1  0.13618100  0.65186000  0.77365000  1.0
  S  S7  1  0.63746900  0.12179000  0.77365000  1.0