# generated using pymatgen
data_PrMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.10036300
_cell_length_b   7.10036348
_cell_length_c   19.63625000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000242
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PrMgSe3
_chemical_formula_sum   'Pr6 Mg6 Se18'
_cell_volume   857.33451402
_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
  Pr  Pr0  1  0.00000000  0.00000000  0.35152000  1.0
  Pr  Pr1  1  0.00000000  0.00000000  0.64848000  1.0
  Pr  Pr2  1  0.66666700  0.33333300  0.68485300  1.0
  Pr  Pr3  1  0.66666700  0.33333300  0.98181300  1.0
  Pr  Pr4  1  0.33333300  0.66666700  0.01818700  1.0
  Pr  Pr5  1  0.33333300  0.66666700  0.31514700  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.16063900  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.83936100  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.49397200  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17269400  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82730600  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.50602800  1.0
  Se  Se12  1  0.99107000  0.36667600  0.58082000  1.0
  Se  Se13  1  0.00893000  0.63332400  0.41918000  1.0
  Se  Se14  1  0.63332400  0.62439400  0.58082000  1.0
  Se  Se15  1  0.36667600  0.37560500  0.41918000  1.0
  Se  Se16  1  0.37560500  0.00893000  0.58082000  1.0
  Se  Se17  1  0.62439400  0.99107000  0.41918000  1.0
  Se  Se18  1  0.65773700  0.70000900  0.91415300  1.0
  Se  Se19  1  0.67559700  0.96665700  0.75251300  1.0
  Se  Se20  1  0.29999100  0.95772700  0.91415300  1.0
  Se  Se21  1  0.03334300  0.70893900  0.75251300  1.0
  Se  Se22  1  0.04227200  0.34226300  0.91415300  1.0
  Se  Se23  1  0.29106100  0.32440300  0.75251300  1.0
  Se  Se24  1  0.32440300  0.03334300  0.24748700  1.0
  Se  Se25  1  0.34226300  0.29999100  0.08584700  1.0
  Se  Se26  1  0.96665700  0.29106100  0.24748700  1.0
  Se  Se27  1  0.70000900  0.04227200  0.08584700  1.0
  Se  Se28  1  0.70893900  0.67559700  0.24748700  1.0
  Se  Se29  1  0.95772700  0.65773700  0.08584700  1.0