# generated using pymatgen
data_PmMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.00049800
_cell_length_b   7.00049877
_cell_length_c   19.62502200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999635
_symmetry_Int_Tables_number   1
_chemical_formula_structural   PmMgSe3
_chemical_formula_sum   'Pm6 Mg6 Se18'
_cell_volume   832.91123386
_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
  Pm  Pm0  1  0.00000000  0.00000000  0.35105800  1.0
  Pm  Pm1  1  0.00000000  0.00000000  0.64894200  1.0
  Pm  Pm2  1  0.66666700  0.33333300  0.68439100  1.0
  Pm  Pm3  1  0.66666700  0.33333300  0.98227500  1.0
  Pm  Pm4  1  0.33333300  0.66666700  0.01772500  1.0
  Pm  Pm5  1  0.33333300  0.66666700  0.31560900  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.16342200  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.83657800  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.49675500  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.16991100  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.83008900  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.50324500  1.0
  Se  Se12  1  0.99709600  0.37361700  0.58343900  1.0
  Se  Se13  1  0.00290400  0.62638300  0.41656100  1.0
  Se  Se14  1  0.62638300  0.62347900  0.58343900  1.0
  Se  Se15  1  0.37361700  0.37652100  0.41656100  1.0
  Se  Se16  1  0.37652100  0.00290400  0.58343900  1.0
  Se  Se17  1  0.62347900  0.99709600  0.41656100  1.0
  Se  Se18  1  0.66376300  0.70695000  0.91677200  1.0
  Se  Se19  1  0.66957100  0.95971600  0.74989400  1.0
  Se  Se20  1  0.29305000  0.95681200  0.91677200  1.0
  Se  Se21  1  0.04028400  0.70985400  0.74989400  1.0
  Se  Se22  1  0.04318800  0.33623700  0.91677200  1.0
  Se  Se23  1  0.29014600  0.33042900  0.74989400  1.0
  Se  Se24  1  0.33042900  0.04028400  0.25010600  1.0
  Se  Se25  1  0.33623700  0.29305000  0.08322800  1.0
  Se  Se26  1  0.95971600  0.29014600  0.25010600  1.0
  Se  Se27  1  0.70695000  0.04318800  0.08322800  1.0
  Se  Se28  1  0.70985400  0.66957100  0.25010600  1.0
  Se  Se29  1  0.95681200  0.66376300  0.08322800  1.0