# generated using pymatgen
data_ErMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.87352400
_cell_length_b   6.87352366
_cell_length_c   19.18964100
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000166
_symmetry_Int_Tables_number   1
_chemical_formula_structural   ErMgSe3
_chemical_formula_sum   'Er6 Mg6 Se18'
_cell_volume   785.15673350
_cell_formula_units_Z   6
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  0.00000000  0.00000000  0.34771600  1.0
  Er  Er1  1  0.00000000  0.00000000  0.65228400  1.0
  Er  Er2  1  0.66666700  0.33333300  0.68104900  1.0
  Er  Er3  1  0.66666700  0.33333300  0.98561700  1.0
  Er  Er4  1  0.33333300  0.66666700  0.01438300  1.0
  Er  Er5  1  0.33333300  0.66666700  0.31895100  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.16170300  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.83829700  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.49503600  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17163000  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82837000  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.50496400  1.0
  Se  Se12  1  0.99252400  0.35806400  0.58425800  1.0
  Se  Se13  1  0.00747600  0.64193600  0.41574200  1.0
  Se  Se14  1  0.64193600  0.63446000  0.58425800  1.0
  Se  Se15  1  0.35806400  0.36554000  0.41574200  1.0
  Se  Se16  1  0.36554000  0.00747600  0.58425800  1.0
  Se  Se17  1  0.63446000  0.99252400  0.41574200  1.0
  Se  Se18  1  0.65919100  0.69139700  0.91759100  1.0
  Se  Se19  1  0.67414300  0.97526900  0.74907500  1.0
  Se  Se20  1  0.30860300  0.96779300  0.91759100  1.0
  Se  Se21  1  0.02473100  0.69887300  0.74907500  1.0
  Se  Se22  1  0.03220700  0.34080900  0.91759100  1.0
  Se  Se23  1  0.30112700  0.32585700  0.74907500  1.0
  Se  Se24  1  0.32585700  0.02473100  0.25092500  1.0
  Se  Se25  1  0.34080900  0.30860300  0.08240900  1.0
  Se  Se26  1  0.97526900  0.30112700  0.25092500  1.0
  Se  Se27  1  0.69139700  0.03220700  0.08240900  1.0
  Se  Se28  1  0.69887300  0.67414300  0.25092500  1.0
  Se  Se29  1  0.96779300  0.65919100  0.08240900  1.0