# generated using pymatgen
data_MgFe2(CuS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.43962550
_cell_length_b   5.46700242
_cell_length_c   6.62628657
_cell_angle_alpha   114.52058084
_cell_angle_beta   114.39188268
_cell_angle_gamma   89.68889272
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgFe2(CuS2)2
_chemical_formula_sum   'Mg1 Fe2 Cu2 S4'
_cell_volume   159.97231922
_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  0.74180000  0.74205800  0.48300700  1.0
  Fe  Fe1  1  0.99975100  0.00000500  0.99966200  1.0
  Fe  Fe2  1  0.25122900  0.75066900  0.50157200  1.0
  Cu  Cu3  1  0.75256800  0.25245000  0.50366000  1.0
  Cu  Cu4  1  0.49306100  0.49333900  0.98564300  1.0
  S  S5  1  0.88867400  0.87609600  0.24302500  1.0
  S  S6  1  0.62193700  0.12314400  0.75475700  1.0
  S  S7  1  0.35502200  0.36713400  0.24251800  1.0
  S  S8  1  0.13345700  0.63260500  0.75490500  1.0