# generated using pymatgen
data_Er3BCl3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.29190644
_cell_length_b   9.29190643
_cell_length_c   9.29190673
_cell_angle_alpha   109.47121915
_cell_angle_beta   109.47121913
_cell_angle_gamma   109.47122518
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3BCl3
_chemical_formula_sum   'Er12 B4 Cl12'
_cell_volume   617.57911207
_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
  Er  Er0  1  0.46826590  0.48413295  0.23413295  1.0
  Er  Er1  1  0.75000000  0.23413295  0.26586705  1.0
  Er  Er2  1  0.75000000  0.01586705  0.48413295  1.0
  Er  Er3  1  0.23413295  0.46826590  0.48413295  1.0
  Er  Er4  1  0.26586705  0.75000000  0.23413295  1.0
  Er  Er5  1  0.03173410  0.26586705  0.01586705  1.0
  Er  Er6  1  0.01586705  0.03173410  0.26586705  1.0
  Er  Er7  1  0.48413295  0.75000000  0.01586705  1.0
  Er  Er8  1  0.48413295  0.23413295  0.46826590  1.0
  Er  Er9  1  0.01586705  0.48413295  0.75000000  1.0
  Er  Er10  1  0.26586705  0.01586705  0.03173410  1.0
  Er  Er11  1  0.23413295  0.26586705  0.75000000  1.0
  B  B12  1  0.25000000  0.25000000  0.25000000  1.0
  B  B13  1  0.50000000  0.00000000  0.25000000  1.0
  B  B14  1  0.00000000  0.25000000  0.50000000  1.0
  B  B15  1  0.25000000  0.50000000  0.00000000  1.0
  Cl  Cl16  1  0.25000000  0.75605191  0.74394809  1.0
  Cl  Cl17  1  0.51210483  0.50605191  0.75605191  1.0
  Cl  Cl18  1  0.98789517  0.74394809  0.99394809  1.0
  Cl  Cl19  1  0.74394809  0.25000000  0.75605191  1.0
  Cl  Cl20  1  0.99394809  0.98789517  0.74394809  1.0
  Cl  Cl21  1  0.25000000  0.99394809  0.50605191  1.0
  Cl  Cl22  1  0.75605191  0.51210483  0.50605191  1.0
  Cl  Cl23  1  0.50605191  0.25000000  0.99394809  1.0
  Cl  Cl24  1  0.75605191  0.74394809  0.25000000  1.0
  Cl  Cl25  1  0.74394809  0.99394809  0.98789517  1.0
  Cl  Cl26  1  0.99394809  0.50605191  0.25000000  1.0
  Cl  Cl27  1  0.50605191  0.75605191  0.51210483  1.0