# generated using pymatgen
data_Er5SiSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.99748090
_cell_length_b   6.99748143
_cell_length_c   6.99748189
_cell_angle_alpha   99.50644618
_cell_angle_beta   99.50644733
_cell_angle_gamma   132.04259363
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5SiSe4
_chemical_formula_sum   'Er5 Si1 Se4'
_cell_volume   232.49295164
_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  0.40438328  0.78755391  0.19193719  1.0
  Er  Er1  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er2  1  0.59561672  0.21244609  0.80806281  1.0
  Er  Er3  1  0.21244609  0.40438328  0.61683038  1.0
  Er  Er4  1  0.78755391  0.59561672  0.38316962  1.0
  Si  Si5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09726686  0.69747093  0.79473679  1.0
  Se  Se7  1  0.69747093  0.90273314  0.60020407  1.0
  Se  Se8  1  0.30252907  0.09726686  0.39979593  1.0
  Se  Se9  1  0.90273314  0.30252907  0.20526321  1.0