# generated using pymatgen
data_YGaI
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.17992518
_cell_length_b   4.17992500
_cell_length_c   12.11967260
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.99998528
_symmetry_Int_Tables_number   1
_chemical_formula_structural   YGaI
_chemical_formula_sum   'Y2 Ga2 I2'
_cell_volume   183.38279249
_cell_formula_units_Z   2
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
  Y  Y0  1  -0.00000000  -0.00000000  0.83374186  1.0
  Y  Y1  1  -0.00000000  -0.00000000  0.16625814  1.0
  Ga  Ga2  1  0.33333300  0.66666700  0.97212200  1.0
  Ga  Ga3  1  0.66666700  0.33333300  0.02787800  1.0
  I  I4  1  0.66666700  0.33333300  0.66841460  1.0
  I  I5  1  0.33333300  0.66666700  0.33158540  1.0