# generated using pymatgen
data_Cs6ErSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   11.59199291
_cell_length_b   11.59199356
_cell_length_c   8.74569489
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999814
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cs6ErSe4
_chemical_formula_sum   'Cs12 Er2 Se8'
_cell_volume   1017.75020846
_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
  Cs  Cs0  1  0.13550932  0.86449068  0.54826680  1.0
  Cs  Cs1  1  0.27101864  0.13550932  0.04826680  1.0
  Cs  Cs2  1  0.86449068  0.72898136  0.04826680  1.0
  Cs  Cs3  1  0.13550932  0.27101864  0.54826680  1.0
  Cs  Cs4  1  0.72898136  0.86449068  0.54826680  1.0
  Cs  Cs5  1  0.86449068  0.13550932  0.04826680  1.0
  Cs  Cs6  1  0.53171479  0.46828521  0.35710357  1.0
  Cs  Cs7  1  0.06342959  0.53171479  0.85710357  1.0
  Cs  Cs8  1  0.46828521  0.93657041  0.85710357  1.0
  Cs  Cs9  1  0.53171479  0.06342959  0.35710357  1.0
  Cs  Cs10  1  0.93657041  0.46828521  0.35710357  1.0
  Cs  Cs11  1  0.46828521  0.53171479  0.85710357  1.0
  Er  Er12  1  0.33333300  0.66666700  0.25830433  1.0
  Er  Er13  1  0.66666700  0.33333300  0.75830433  1.0
  Se  Se14  1  0.33333300  0.66666700  0.56747706  1.0
  Se  Se15  1  0.66666700  0.33333300  0.06747706  1.0
  Se  Se16  1  0.20666866  0.79333134  0.15593550  1.0
  Se  Se17  1  0.41333633  0.20666866  0.65593550  1.0
  Se  Se18  1  0.79333134  0.58666367  0.65593550  1.0
  Se  Se19  1  0.20666866  0.41333633  0.15593550  1.0
  Se  Se20  1  0.58666367  0.79333134  0.15593550  1.0
  Se  Se21  1  0.79333134  0.20666866  0.65593550  1.0