# generated using pymatgen
data_YMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.91394800
_cell_length_b   6.91394834
_cell_length_c   19.30444600
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999838
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YMgSe3
_chemical_formula_sum   'Y6 Mg6 Se18'
_cell_volume   799.17192852
_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
  Y  Y0  1  0.00000000  0.00000000  0.34737400  1.0
  Y  Y1  1  0.00000000  0.00000000  0.65262600  1.0
  Y  Y2  1  0.66666700  0.33333300  0.68070700  1.0
  Y  Y3  1  0.66666700  0.33333300  0.98595900  1.0
  Y  Y4  1  0.33333300  0.66666700  0.01404100  1.0
  Y  Y5  1  0.33333300  0.66666700  0.31929300  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.16128700  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.83871300  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.49462000  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17204600  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82795400  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.50538000  1.0
  Se  Se12  1  0.99383000  0.36000200  0.58355300  1.0
  Se  Se13  1  0.00617000  0.63999800  0.41644700  1.0
  Se  Se14  1  0.63999800  0.63382800  0.58355300  1.0
  Se  Se15  1  0.36000200  0.36617200  0.41644700  1.0
  Se  Se16  1  0.36617200  0.00617000  0.58355300  1.0
  Se  Se17  1  0.63382800  0.99383000  0.41644700  1.0
  Se  Se18  1  0.66049700  0.69333500  0.91688600  1.0
  Se  Se19  1  0.67283700  0.97333100  0.74978000  1.0
  Se  Se20  1  0.30666500  0.96716100  0.91688600  1.0
  Se  Se21  1  0.02666900  0.69950500  0.74978000  1.0
  Se  Se22  1  0.03283900  0.33950300  0.91688600  1.0
  Se  Se23  1  0.30049500  0.32716300  0.74978000  1.0
  Se  Se24  1  0.32716300  0.02666900  0.25022000  1.0
  Se  Se25  1  0.33950300  0.30666500  0.08311400  1.0
  Se  Se26  1  0.97333100  0.30049500  0.25022000  1.0
  Se  Se27  1  0.69333500  0.03283900  0.08311400  1.0
  Se  Se28  1  0.69950500  0.67283700  0.25022000  1.0
  Se  Se29  1  0.96716100  0.66049700  0.08311400  1.0