# generated using pymatgen
data_Er3Zr(Al3Co)6
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.28584916
_cell_length_b   7.27872994
_cell_length_c   9.12239333
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   119.31064010
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3Zr(Al3Co)6
_chemical_formula_sum   'Er3 Zr1 Al18 Co6'
_cell_volume   421.84245977
_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  0.00744680  0.32709767  0.25000000  1.0
  Er  Er1  1  0.67183567  0.99256249  0.75000000  1.0
  Er  Er2  1  0.32780966  0.00814704  0.25000000  1.0
  Zr  Zr3  1  0.99434760  0.67232687  0.75000000  1.0
  Al  Al4  1  0.12189041  0.11889296  0.75000000  1.0
  Al  Al5  1  0.87480736  0.87421348  0.25000000  1.0
  Al  Al6  1  0.99663316  0.33702991  0.57396651  1.0
  Al  Al7  1  0.00283355  0.66513643  0.43094461  1.0
  Al  Al8  1  0.00283355  0.66513643  0.06905539  1.0
  Al  Al9  1  0.33278151  0.99492432  0.92603488  1.0
  Al  Al10  1  0.99663316  0.33702991  0.92603349  1.0
  Al  Al11  1  0.66453341  0.00184951  0.07105086  1.0
  Al  Al12  1  0.66453341  0.00184951  0.42894914  1.0
  Al  Al13  1  0.33278151  0.99492432  0.57396512  1.0
  Al  Al14  1  0.33243013  0.33257987  0.03768626  1.0
  Al  Al15  1  0.67088306  0.66891393  0.95414700  1.0
  Al  Al16  1  0.67088306  0.66891393  0.54585300  1.0
  Al  Al17  1  0.33243013  0.33257987  0.46231374  1.0
  Al  Al18  1  0.33473811  0.55551491  0.75000000  1.0
  Al  Al19  1  0.66078773  0.44606077  0.25000000  1.0
  Al  Al20  1  0.56068643  0.34414160  0.75000000  1.0
  Al  Al21  1  0.44484483  0.66000719  0.25000000  1.0
  Co  Co22  1  0.67228620  0.32918403  0.50149622  1.0
  Co  Co23  1  0.32833251  0.67172481  0.50192988  1.0
  Co  Co24  1  0.32833251  0.67172481  0.99807012  1.0
  Co  Co25  1  0.67228620  0.32918403  0.99850378  1.0
  Co  Co26  1  0.99969117  0.99917320  0.50144102  1.0
  Co  Co27  1  0.99969117  0.99917320  0.99855898  1.0