# generated using pymatgen
data_La2Cu2I
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.29509738
_cell_length_b   4.29509738
_cell_length_c   17.33463750
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000426
_symmetry_Int_Tables_number   1
_chemical_formula_structural   La2Cu2I
_chemical_formula_sum   'La4 Cu4 I2'
_cell_volume   276.94364641
_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  0.10269041  1.0
  La  La1  1  -0.00000000  0.00000000  0.89730959  1.0
  La  La2  1  -0.00000000  0.00000000  0.60269041  1.0
  La  La3  1  -0.00000000  -0.00000000  0.39730959  1.0
  Cu  Cu4  1  0.33333300  0.66666700  0.50087937  1.0
  Cu  Cu5  1  0.66666700  0.33333300  0.49912063  1.0
  Cu  Cu6  1  0.66666700  0.33333300  0.00087937  1.0
  Cu  Cu7  1  0.33333300  0.66666700  0.99912063  1.0
  I  I8  1  0.33333300  0.66666700  0.25000000  1.0
  I  I9  1  0.66666700  0.33333300  0.75000000  1.0