# generated using pymatgen
data_MgNb6CrSe12
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.07224397
_cell_length_b   6.07224525
_cell_length_c   13.17324167
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99999302
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgNb6CrSe12
_chemical_formula_sum   'Mg1 Nb6 Cr1 Se12'
_cell_volume   420.65091440
_cell_formula_units_Z   1
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
  Mg  Mg0  1  0.33333300  0.66666700  0.25000000  1.0
  Nb  Nb1  1  0.00000000  0.00000000  0.50873283  1.0
  Nb  Nb2  1  0.00000000  0.00000000  0.99126717  1.0
  Nb  Nb3  1  0.33333300  0.66666700  0.99089695  1.0
  Nb  Nb4  1  0.66666700  0.33333300  0.99275917  1.0
  Nb  Nb5  1  0.66666700  0.33333300  0.50724083  1.0
  Nb  Nb6  1  0.33333300  0.66666700  0.50910305  1.0
  Cr  Cr7  1  0.66666700  0.33333300  0.75000000  1.0
  Se  Se8  1  0.33214139  0.32914113  0.38150179  1.0
  Se  Se9  1  0.67085887  0.00300126  0.38150179  1.0
  Se  Se10  1  0.99699874  0.66785861  0.38150179  1.0
  Se  Se11  1  0.33098845  0.33323384  0.63449124  1.0
  Se  Se12  1  0.00224539  0.66901155  0.63449124  1.0
  Se  Se13  1  0.66676616  0.99775461  0.63449124  1.0
  Se  Se14  1  0.66676616  0.66901155  0.86550876  1.0
  Se  Se15  1  0.33098845  0.99775461  0.86550876  1.0
  Se  Se16  1  0.00224539  0.33323384  0.86550876  1.0
  Se  Se17  1  0.67085887  0.66785861  0.11849821  1.0
  Se  Se18  1  0.99699874  0.32914113  0.11849821  1.0
  Se  Se19  1  0.33214139  0.00300126  0.11849821  1.0