# generated using pymatgen
data_Al2CrS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.11322731
_cell_length_b   7.11322731
_cell_length_c   7.11322731
_cell_angle_alpha   120.50298341
_cell_angle_beta   119.24200488
_cell_angle_gamma   90.22444446
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Al2CrS4
_chemical_formula_sum   'Al4 Cr2 S8'
_cell_volume   254.94835666
_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
  Al  Al0  1  0.88096700  0.13096700  0.75000000  1.0
  Al  Al1  1  0.11903300  0.86903300  0.25000000  1.0
  Al  Al2  1  0.00000000  0.50000000  0.50000000  1.0
  Al  Al3  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr4  1  0.50000000  0.50000000  0.50000000  1.0
  Cr  Cr5  1  0.50000000  0.00000000  0.00000000  1.0
  S  S6  1  0.25511800  0.74129700  0.51382100  1.0
  S  S7  1  0.72747700  0.74129700  0.98617900  1.0
  S  S8  1  0.25679500  0.27147500  0.51468000  1.0
  S  S9  1  0.25679500  0.74211500  0.98532000  1.0
  S  S10  1  0.74320500  0.25788500  0.01468000  1.0
  S  S11  1  0.74320500  0.72852500  0.48532000  1.0
  S  S12  1  0.27252300  0.25870300  0.01382100  1.0
  S  S13  1  0.74488200  0.25870300  0.48617900  1.0