# generated using pymatgen
data_Er(BC)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.50918849
_cell_length_b   5.31561352
_cell_length_c   5.31561452
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er(BC)2
_chemical_formula_sum   'Er2 B4 C4'
_cell_volume   99.15476113
_cell_formula_units_Z   2
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  -0.00000000  0.50000000  0.50000000  1.0
  Er  Er1  1  0.00000000  0.00000000  -0.00000000  1.0
  B  B2  1  0.50000000  0.63600375  0.13600375  1.0
  B  B3  1  0.50000000  0.86399625  0.63600375  1.0
  B  B4  1  0.50000000  0.36399625  0.86399625  1.0
  B  B5  1  0.50000000  0.13600375  0.36399625  1.0
  C  C6  1  0.50000000  0.66265274  0.83734726  1.0
  C  C7  1  0.50000000  0.83734726  0.33734726  1.0
  C  C8  1  0.50000000  0.16265274  0.66265274  1.0
  C  C9  1  0.50000000  0.33734726  0.16265274  1.0