# generated using pymatgen
data_Er5GeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99833527
_cell_length_b   6.99833527
_cell_length_c   6.99833495
_cell_angle_alpha   99.53799432
_cell_angle_beta   99.53799044
_cell_angle_gamma   131.95884843
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5GeSe4
_chemical_formula_sum   'Er5 Ge1 Se4'
_cell_volume   232.80862362
_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
  Er  Er0  1  0.40265355  0.79052204  0.19317559  1.0
  Er  Er1  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er2  1  0.59734645  0.20947796  0.80682441  1.0
  Er  Er3  1  0.20947796  0.40265355  0.61213151  1.0
  Er  Er4  1  0.79052204  0.59734645  0.38786849  1.0
  Ge  Ge5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09745465  0.69771085  0.79516450  1.0
  Se  Se7  1  0.69771085  0.90254535  0.60025420  1.0
  Se  Se8  1  0.30228915  0.09745465  0.39974580  1.0
  Se  Se9  1  0.90254535  0.30228915  0.20483550  1.0