# generated using pymatgen
data_Ca4MgAl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.85645151
_cell_length_b   6.17501313
_cell_length_c   24.25304459
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca4MgAl3
_chemical_formula_sum   'Ca16 Mg4 Al12'
_cell_volume   877.07897904
_cell_formula_units_Z   4
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  0.75000000  0.68608961  0.28985018  1.0
  Ca  Ca1  1  0.25000000  0.31391039  0.71014982  1.0
  Ca  Ca2  1  0.25000000  0.24349374  0.12374107  1.0
  Ca  Ca3  1  0.25000000  0.91976600  0.35741935  1.0
  Ca  Ca4  1  0.75000000  0.24349374  0.37625893  1.0
  Ca  Ca5  1  0.25000000  0.08023400  0.85741935  1.0
  Ca  Ca6  1  0.25000000  0.50341779  0.95381296  1.0
  Ca  Ca7  1  0.75000000  0.50341779  0.54618704  1.0
  Ca  Ca8  1  0.75000000  0.08023400  0.64258065  1.0
  Ca  Ca9  1  0.75000000  0.49658221  0.04618704  1.0
  Ca  Ca10  1  0.25000000  0.68608961  0.21014982  1.0
  Ca  Ca11  1  0.25000000  0.49658221  0.45381296  1.0
  Ca  Ca12  1  0.25000000  0.75650626  0.62374107  1.0
  Ca  Ca13  1  0.75000000  0.31391039  0.78985018  1.0
  Ca  Ca14  1  0.75000000  0.91976600  0.14258065  1.0
  Ca  Ca15  1  0.75000000  0.75650626  0.87625893  1.0
  Mg  Mg16  1  -0.00000000  0.00000000  -0.00000000  1.0
  Mg  Mg17  1  0.50000000  0.00000000  -0.00000000  1.0
  Mg  Mg18  1  0.50000000  0.00000000  0.50000000  1.0
  Mg  Mg19  1  -0.00000000  0.00000000  0.50000000  1.0
  Al  Al20  1  0.00000000  0.83093714  0.75000000  1.0
  Al  Al21  1  0.75000000  0.25419303  0.92455454  1.0
  Al  Al22  1  0.25000000  0.74580697  0.07544546  1.0
  Al  Al23  1  0.75000000  0.74580697  0.42455454  1.0
  Al  Al24  1  -0.00000000  0.16906286  0.25000000  1.0
  Al  Al25  1  0.50000000  0.16906286  0.25000000  1.0
  Al  Al26  1  0.50000000  0.83093714  0.75000000  1.0
  Al  Al27  1  0.25000000  0.58779063  0.82251478  1.0
  Al  Al28  1  0.75000000  0.58779063  0.67748522  1.0
  Al  Al29  1  0.25000000  0.41220937  0.32251478  1.0
  Al  Al30  1  0.75000000  0.41220937  0.17748522  1.0
  Al  Al31  1  0.25000000  0.25419303  0.57544546  1.0