# generated using pymatgen
data_Er4ThCN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   12.65591053
_cell_length_b   12.65591053
_cell_length_c   12.65591053
_cell_angle_alpha   164.04437445
_cell_angle_beta   164.04437445
_cell_angle_gamma   22.63879981
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er4ThCN4
_chemical_formula_sum   'Er4 Th1 C1 N4'
_cell_volume   153.15215695
_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  0.89331900  0.89331900  0.00000000  1.0
  Er  Er1  1  0.29800300  0.29800300  0.00000000  1.0
  Er  Er2  1  0.70199700  0.70199700  0.00000000  1.0
  Er  Er3  1  0.10668100  0.10668100  0.00000000  1.0
  Th  Th4  1  0.50000000  0.50000000  0.00000000  1.0
  C  C5  1  0.00000000  0.00000000  0.00000000  1.0
  N  N6  1  0.39597500  0.39597500  0.00000000  1.0
  N  N7  1  0.79860400  0.79860400  0.00000000  1.0
  N  N8  1  0.20139600  0.20139600  0.00000000  1.0
  N  N9  1  0.60402500  0.60402500  0.00000000  1.0