# generated using pymatgen
data_KZrCuSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.72837802
_cell_length_b   7.72837802
_cell_length_c   10.24176800
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   150.71463646
_symmetry_Int_Tables_number   1
_chemical_formula_structural   KZrCuSe3
_chemical_formula_sum   'K2 Zr2 Cu2 Se6'
_cell_volume   299.22803644
_cell_formula_units_Z   2
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  0.25072700  0.74927300  0.75000000  1.0
  K  K1  1  0.74927300  0.25072700  0.25000000  1.0
  Zr  Zr2  1  0.00000000  0.00000000  0.00000000  1.0
  Zr  Zr3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.53148700  0.46851300  0.75000000  1.0
  Cu  Cu5  1  0.46851300  0.53148700  0.25000000  1.0
  Se  Se6  1  0.62240200  0.37759800  0.94592300  1.0
  Se  Se7  1  0.06829100  0.93170900  0.25000000  1.0
  Se  Se8  1  0.37759800  0.62240200  0.44592300  1.0
  Se  Se9  1  0.37759800  0.62240200  0.05407700  1.0
  Se  Se10  1  0.62240200  0.37759800  0.55407700  1.0
  Se  Se11  1  0.93170900  0.06829100  0.75000000  1.0