# generated using pymatgen
data_NdMgSe3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.03599300
_cell_length_b   7.03599353
_cell_length_c   19.64905200
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000222
_symmetry_Int_Tables_number   1
_chemical_formula_structural   NdMgSe3
_chemical_formula_sum   'Nd6 Mg6 Se18'
_cell_volume   842.40910852
_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
  Nd  Nd0  1  0.00000000  0.00000000  0.35247100  1.0
  Nd  Nd1  1  0.00000000  0.00000000  0.64752900  1.0
  Nd  Nd2  1  0.66666700  0.33333300  0.68580400  1.0
  Nd  Nd3  1  0.66666700  0.33333300  0.98086200  1.0
  Nd  Nd4  1  0.33333300  0.66666700  0.01913800  1.0
  Nd  Nd5  1  0.33333300  0.66666700  0.31419600  1.0
  Mg  Mg6  1  0.00000000  0.00000000  0.16248900  1.0
  Mg  Mg7  1  0.00000000  0.00000000  0.83751100  1.0
  Mg  Mg8  1  0.66666700  0.33333300  0.49582200  1.0
  Mg  Mg9  1  0.66666700  0.33333300  0.17084400  1.0
  Mg  Mg10  1  0.33333300  0.66666700  0.82915600  1.0
  Mg  Mg11  1  0.33333300  0.66666700  0.50417800  1.0
  Se  Se12  1  0.99423400  0.37330000  0.58263400  1.0
  Se  Se13  1  0.00576600  0.62670000  0.41736600  1.0
  Se  Se14  1  0.62670000  0.62093300  0.58263400  1.0
  Se  Se15  1  0.37330000  0.37906700  0.41736600  1.0
  Se  Se16  1  0.37906700  0.00576600  0.58263400  1.0
  Se  Se17  1  0.62093300  0.99423400  0.41736600  1.0
  Se  Se18  1  0.66090100  0.70663300  0.91596700  1.0
  Se  Se19  1  0.67243300  0.96003300  0.75069900  1.0
  Se  Se20  1  0.29336700  0.95426600  0.91596700  1.0
  Se  Se21  1  0.03996700  0.71240000  0.75069900  1.0
  Se  Se22  1  0.04573400  0.33909900  0.91596700  1.0
  Se  Se23  1  0.28760000  0.32756700  0.75069900  1.0
  Se  Se24  1  0.32756700  0.03996700  0.24930100  1.0
  Se  Se25  1  0.33909900  0.29336700  0.08403300  1.0
  Se  Se26  1  0.96003300  0.28760000  0.24930100  1.0
  Se  Se27  1  0.70663300  0.04573400  0.08403300  1.0
  Se  Se28  1  0.71240000  0.67243300  0.24930100  1.0
  Se  Se29  1  0.95426600  0.66090100  0.08403300  1.0