# generated using pymatgen
data_LiGaBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.59037572
_cell_length_b   7.98662599
_cell_length_c   10.43678705
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   93.48762418
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LiGaBr3
_chemical_formula_sum   'Li4 Ga4 Br12'
_cell_volume   548.32149083
_cell_formula_units_Z   4
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
  Li  Li0  1  0.00000000  0.50000000  0.50000000  1
  Li  Li1  1  0.50000000  0.00000000  0.50000000  1
  Li  Li2  1  0.00000000  0.50000000  -0.00000000  1
  Li  Li3  1  0.50000000  0.00000000  -0.00000000  1
  Ga  Ga4  1  0.97260720  0.96077664  0.25000000  1
  Ga  Ga5  1  0.13456369  0.75711952  0.75000000  1
  Ga  Ga6  1  0.02739280  0.03922336  0.75000000  1
  Ga  Ga7  1  0.86543631  0.24288048  0.25000000  1
  Br  Br8  1  0.33664174  0.68506788  0.56903840  1
  Br  Br9  1  0.66335826  0.31493212  0.43096160  1
  Br  Br10  1  0.33664174  0.68506788  0.93096160  1
  Br  Br11  1  0.66711829  0.06796484  0.75000000  1
  Br  Br12  1  0.82726689  0.80958143  0.06860697  1
  Br  Br13  1  0.17273311  0.19041857  0.56860697  1
  Br  Br14  1  0.17273311  0.19041857  0.93139303  1
  Br  Br15  1  0.82726689  0.80958143  0.43139303  1
  Br  Br16  1  0.66335826  0.31493212  0.06903840  1
  Br  Br17  1  0.86746370  0.53924998  0.75000000  1
  Br  Br18  1  0.13253630  0.46075002  0.25000000  1
  Br  Br19  1  0.33288171  0.93203516  0.25000000  1
