# generated using pymatgen
data_Er4Th(FeB3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.38402444
_cell_length_b   5.38402440
_cell_length_c   8.03857005
_cell_angle_alpha   70.43434203
_cell_angle_beta   70.43434000
_cell_angle_gamma   59.99998191
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4Th(FeB3)2
_chemical_formula_sum   'Er4 Th1 Fe2 B6'
_cell_volume   186.10254655
_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  0.25126394  0.25126394  0.24620718  1.0
  Er  Er1  1  0.74873606  0.74873606  0.75379282  1.0
  Er  Er2  1  0.41562577  0.41562577  0.75312470  1.0
  Er  Er3  1  0.58437423  0.58437423  0.24687530  1.0
  Th  Th4  1  0.00000000  0.00000000  0.00000000  1.0
  Fe  Fe5  1  0.11223255  0.11223255  0.66330335  1.0
  Fe  Fe6  1  0.88776745  0.88776745  0.33669665  1.0
  B  B7  1  0.16741730  0.83258270  0.50000000  1.0
  B  B8  1  0.83258270  0.50000000  0.50000000  1.0
  B  B9  1  0.50000000  0.16741730  0.50000000  1.0
  B  B10  1  0.16741730  0.50000000  0.50000000  1.0
  B  B11  1  0.50000000  0.83258270  0.50000000  1.0
  B  B12  1  0.83258270  0.16741730  0.50000000  1.0