# generated using pymatgen
data_La3RuBr3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   10.57664528
_cell_length_b   10.57664528
_cell_length_c   10.57664528
_cell_angle_alpha   109.47122063
_cell_angle_beta   109.47122063
_cell_angle_gamma   109.47122063
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La3RuBr3
_chemical_formula_sum   'La12 Ru4 Br12'
_cell_volume   910.79770365
_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
  La  La0  1  0.26569700  0.75000000  0.23430300  1.0
  La  La1  1  0.48430300  0.75000000  0.01569700  1.0
  La  La2  1  0.23430300  0.46860500  0.48430300  1.0
  La  La3  1  0.01569700  0.03139500  0.26569700  1.0
  La  La4  1  0.23430300  0.26569700  0.75000000  1.0
  La  La5  1  0.01569700  0.48430300  0.75000000  1.0
  La  La6  1  0.48430300  0.23430300  0.46860500  1.0
  La  La7  1  0.26569700  0.01569700  0.03139500  1.0
  La  La8  1  0.75000000  0.23430300  0.26569700  1.0
  La  La9  1  0.75000000  0.01569700  0.48430300  1.0
  La  La10  1  0.46860500  0.48430300  0.23430300  1.0
  La  La11  1  0.03139500  0.26569700  0.01569700  1.0
  Ru  Ru12  1  0.50000000  0.00000000  0.25000000  1.0
  Ru  Ru13  1  0.25000000  0.50000000  0.00000000  1.0
  Ru  Ru14  1  0.00000000  0.25000000  0.50000000  1.0
  Ru  Ru15  1  0.25000000  0.25000000  0.25000000  1.0
  Br  Br16  1  0.25000000  0.99319500  0.50680500  1.0
  Br  Br17  1  0.51361100  0.50680500  0.75680500  1.0
  Br  Br18  1  0.25000000  0.75680500  0.74319500  1.0
  Br  Br19  1  0.98638900  0.74319500  0.99319500  1.0
  Br  Br20  1  0.99319500  0.50680500  0.25000000  1.0
  Br  Br21  1  0.74319500  0.99319500  0.98638900  1.0
  Br  Br22  1  0.75680500  0.74319500  0.25000000  1.0
  Br  Br23  1  0.50680500  0.75680500  0.51361100  1.0
  Br  Br24  1  0.50680500  0.25000000  0.99319500  1.0
  Br  Br25  1  0.75680500  0.51361100  0.50680500  1.0
  Br  Br26  1  0.74319500  0.25000000  0.75680500  1.0
  Br  Br27  1  0.99319500  0.98638900  0.74319500  1.0