# generated using pymatgen
data_Er(AlCr)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.06366900
_cell_length_b   6.67010269
_cell_length_c   6.67010269
_cell_angle_alpha   97.47601160
_cell_angle_beta   112.30763608
_cell_angle_gamma   67.69236392
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(AlCr)6
_chemical_formula_sum   'Er1 Al6 Cr6'
_cell_volume   192.79926998
_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
  Er  Er0  1  0.00000000  0.00000000  0.00000000  1.0
  Al  Al1  1  0.65434400  0.34565600  0.65434400  1.0
  Al  Al2  1  0.34565600  0.65434400  0.34565600  1.0
  Al  Al3  1  0.00000000  0.32925700  0.32925700  1.0
  Al  Al4  1  0.00000000  0.67074300  0.67074300  1.0
  Al  Al5  1  0.69344600  0.80655400  0.19344600  1.0
  Al  Al6  1  0.30655400  0.19344600  0.80655400  1.0
  Cr  Cr7  1  0.50000000  0.00000000  0.50000000  1.0
  Cr  Cr8  1  0.00000000  0.00000000  0.50000000  1.0
  Cr  Cr9  1  0.50000000  0.50000000  0.00000000  1.0
  Cr  Cr10  1  0.00000000  0.50000000  0.00000000  1.0
  Cr  Cr11  1  0.50000000  0.75977400  0.75977400  1.0
  Cr  Cr12  1  0.50000000  0.24022600  0.24022600  1.0