# generated using pymatgen
data_AlTl2Cu3Se4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.98561800
_cell_length_b   3.98561800
_cell_length_c   14.99190000
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   AlTl2Cu3Se4
_chemical_formula_sum   'Al1 Tl2 Cu3 Se4'
_cell_volume   238.14859291
_cell_formula_units_Z   1
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
  Al  Al0  1  0.50000000  0.50000000  0.00000000  1.0
  Tl  Tl1  1  0.50000000  0.00000000  0.70673200  1.0
  Tl  Tl2  1  0.00000000  0.50000000  0.29326800  1.0
  Cu  Cu3  1  0.00000000  0.00000000  0.50000000  1.0
  Cu  Cu4  1  0.00000000  0.00000000  0.00000000  1.0
  Cu  Cu5  1  0.50000000  0.50000000  0.50000000  1.0
  Se  Se6  1  0.00000000  0.50000000  0.89962900  1.0
  Se  Se7  1  0.50000000  0.00000000  0.39457200  1.0
  Se  Se8  1  0.50000000  0.00000000  0.10037100  1.0
  Se  Se9  1  0.00000000  0.50000000  0.60542800  1.0