# generated using pymatgen
data_Nd12Ga(SiI4)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.82123723
_cell_length_b   10.79146396
_cell_length_c   10.82123624
_cell_angle_alpha   109.41550077
_cell_angle_beta   109.52688350
_cell_angle_gamma   109.41550280
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd12Ga(SiI4)3
_chemical_formula_sum   'Nd12 Ga1 Si3 I12'
_cell_volume   973.44280762
_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
  Nd  Nd0  1  0.26631166  0.01631166  0.03262332  1.0
  Nd  Nd1  1  0.03422264  0.26711182  0.01711182  1.0
  Nd  Nd2  1  0.48288818  0.75000000  0.01711182  1.0
  Nd  Nd3  1  0.74717317  0.23296325  0.26467219  1.0
  Nd  Nd4  1  0.01750002  0.03170794  0.26467219  1.0
  Nd  Nd5  1  0.01750002  0.48579109  0.75282683  1.0
  Nd  Nd6  1  0.23532781  0.26703675  0.75282683  1.0
  Nd  Nd7  1  0.26631166  0.75000000  0.23368834  1.0
  Nd  Nd8  1  0.23532781  0.46829206  0.48249998  1.0
  Nd  Nd9  1  0.46737668  0.48368834  0.23368834  1.0
  Nd  Nd10  1  0.74717317  0.01420891  0.48249998  1.0
  Nd  Nd11  1  0.48288818  0.23288818  0.46577736  1.0
  Ga  Ga12  1  0.00000000  0.25000000  0.50000000  1.0
  Si  Si13  1  0.25031761  0.50031761  0.00063522  1.0
  Si  Si14  1  0.49936478  0.99968239  0.24968239  1.0
  Si  Si15  1  0.25031761  0.25000000  0.24968239  1.0
  I  I16  1  0.75704546  0.74179621  0.24945947  1.0
  I  I17  1  0.50773597  0.25000000  0.99226403  1.0
  I  I18  1  0.25054053  0.99233674  0.50758699  1.0
  I  I19  1  0.51517968  0.50759034  0.75759034  1.0
  I  I20  1  0.99241301  0.98475075  0.74295454  1.0
  I  I21  1  0.74240966  0.99240966  0.98482032  1.0
  I  I22  1  0.50773597  0.75773597  0.51547195  1.0
  I  I23  1  0.75704546  0.51524925  0.50758699  1.0
  I  I24  1  0.99241301  0.50766326  0.24945947  1.0
  I  I25  1  0.98452805  0.74226403  0.99226403  1.0
  I  I26  1  0.25054053  0.75820379  0.74295454  1.0
  I  I27  1  0.74240966  0.25000000  0.75759034  1.0