# generated using pymatgen
data_K4MgNb2(CuS4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66781436
_cell_length_b   7.34898266
_cell_length_c   12.24707131
_cell_angle_alpha   84.39619991
_cell_angle_beta   76.61511395
_cell_angle_gamma   65.08785831
_symmetry_Int_Tables_number   1
_chemical_formula_structural   K4MgNb2(CuS4)2
_chemical_formula_sum   'K4 Mg1 Nb2 Cu2 S8'
_cell_volume   450.09146794
_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
  K  K0  1  0.95085300  0.75015200  0.09798200  1.0
  K  K1  1  0.30652400  0.75031700  0.38743000  1.0
  K  K2  1  0.05082800  0.24974100  0.89966700  1.0
  K  K3  1  0.67366600  0.25006700  0.65336800  1.0
  Mg  Mg4  1  0.25111900  0.25010600  0.49831900  1.0
  Nb  Nb5  1  0.12731600  0.75000900  0.74570800  1.0
  Nb  Nb6  1  0.87900300  0.25002500  0.24206600  1.0
  Cu  Cu7  1  0.62511000  0.74969700  0.75077000  1.0
  Cu  Cu8  1  0.37887200  0.25000600  0.24197900  1.0
  S  S9  1  0.71956100  0.94733300  0.85653800  1.0
  S  S10  1  0.05860600  0.53867300  0.63209300  1.0
  S  S11  1  0.67021800  0.06594300  0.36819600  1.0
  S  S12  1  0.57440400  0.45311500  0.13727800  1.0
  S  S13  1  0.28838400  0.04699200  0.13721400  1.0
  S  S14  1  0.96165000  0.43391800  0.36831800  1.0
  S  S15  1  0.30967800  0.96148800  0.63213400  1.0
  S  S16  1  0.42420600  0.55241600  0.85649600  1.0