# generated using pymatgen
data_MgFe2(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.41785123
_cell_length_b   5.26383482
_cell_length_c   6.72792416
_cell_angle_alpha   113.61370470
_cell_angle_beta   113.75094232
_cell_angle_gamma   89.99271359
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2(CuS2)2
_chemical_formula_sum   'Mg1 Fe2 Cu2 S4'
_cell_volume   157.91489939
_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  0.39721100  0.87485900  0.25000100  1.0
  Fe  Fe1  1  0.96028200  0.04772000  0.00210700  1.0
  Fe  Fe2  1  0.20774500  0.70177200  0.49753500  1.0
  Cu  Cu3  1  0.80343200  0.29493800  0.52886600  1.0
  Cu  Cu4  1  0.52603200  0.45593400  0.97146500  1.0
  S  S5  1  0.88055200  0.87516400  0.25010200  1.0
  S  S6  1  0.59749700  0.08908400  0.70323700  1.0
  S  S7  1  0.38276200  0.37490100  0.24994900  1.0
  S  S8  1  0.14448800  0.66062900  0.79673700  1.0