# generated using pymatgen
data_CaEr(MgAl4)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.47927546
_cell_length_b   9.47927495
_cell_length_c   9.47927455
_cell_angle_alpha   33.50783791
_cell_angle_beta   33.50783479
_cell_angle_gamma   33.50783093
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaEr(MgAl4)2
_chemical_formula_sum   'Ca1 Er1 Mg2 Al8'
_cell_volume   231.20189833
_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
  Ca  Ca0  1  0.06354119  0.06354119  0.06354119  1.0
  Er  Er1  1  0.93624154  0.93624154  0.93624154  1.0
  Mg  Mg2  1  0.56137751  0.56137751  0.56137751  1.0
  Mg  Mg3  1  0.44016789  0.44016789  0.44016789  1.0
  Al  Al4  1  0.75024712  0.75024712  0.75024712  1.0
  Al  Al5  1  0.24985394  0.24985394  0.24985394  1.0
  Al  Al6  1  0.99718683  0.49886444  0.49886444  1.0
  Al  Al7  1  0.50294198  0.00035505  0.00035505  1.0
  Al  Al8  1  0.49886444  0.99718683  0.49886444  1.0
  Al  Al9  1  0.00035505  0.50294198  0.00035505  1.0
  Al  Al10  1  0.49886444  0.49886444  0.99718683  1.0
  Al  Al11  1  0.00035505  0.00035505  0.50294198  1.0