# generated using pymatgen
data_La2SiNiBr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.16288491
_cell_length_b   4.16288456
_cell_length_c   16.79939975
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001064
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2SiNiBr
_chemical_formula_sum   'La4 Si2 Ni2 Br2'
_cell_volume   252.12338015
_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
  La  La0  1  0.00000000  0.00000000  0.38696732  1.0
  La  La1  1  0.00000000  0.00000000  0.88696732  1.0
  La  La2  1  0.00000000  0.00000000  0.60906554  1.0
  La  La3  1  0.00000000  0.00000000  0.10906554  1.0
  Si  Si4  1  0.66666700  0.33333300  0.49281021  1.0
  Si  Si5  1  0.33333300  0.66666700  0.99281021  1.0
  Ni  Ni6  1  0.33333300  0.66666700  0.51010913  1.0
  Ni  Ni7  1  0.66666700  0.33333300  0.01010913  1.0
  Br  Br8  1  0.33333300  0.66666700  0.25104781  1.0
  Br  Br9  1  0.66666700  0.33333300  0.75104781  1.0