# generated using pymatgen
data_Er5BeSe4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.95755465
_cell_length_b   6.95945579
_cell_length_c   6.96256204
_cell_angle_alpha   99.51857446
_cell_angle_beta   99.53145675
_cell_angle_gamma   131.95632015
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er5BeSe4
_chemical_formula_sum   'Er5 Be1 Se4'
_cell_volume   229.06222665
_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  0.40485517  0.78158028  0.18693727  1.0
  Er  Er1  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er2  1  0.59514483  0.21841972  0.81306273  1.0
  Er  Er3  1  0.21860334  0.40610664  0.62427019  1.0
  Er  Er4  1  0.78139666  0.59389336  0.37572981  1.0
  Be  Be5  1  0.50000000  0.50000000  0.00000000  1.0
  Se  Se6  1  0.09365664  0.69537077  0.78859439  1.0
  Se  Se7  1  0.69543154  0.90585929  0.60087232  1.0
  Se  Se8  1  0.30456846  0.09414071  0.39912768  1.0
  Se  Se9  1  0.90634336  0.30462923  0.21140561  1.0