# generated using pymatgen
data_MgCu2WS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68990406
_cell_length_b   5.68990504
_cell_length_c   6.74728088
_cell_angle_alpha   114.93844033
_cell_angle_beta   114.93845252
_cell_angle_gamma   89.99999224
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCu2WS4
_chemical_formula_sum   'Mg1 Cu2 W1 S4'
_cell_volume   175.35870898
_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
  Cu  Cu1  1  0.50000000  0.00000000  0.00000000  1.0
  Cu  Cu2  1  0.00000000  0.50000000  0.00000000  1.0
  W  W3  1  0.00000000  0.00000000  0.00000000  1.0
  S  S4  1  0.88414300  0.88414300  0.24401300  1.0
  S  S5  1  0.35986900  0.35986900  0.24401300  1.0
  S  S6  1  0.11585700  0.64013100  0.75598700  1.0
  S  S7  1  0.64013100  0.11585700  0.75598700  1.0