# generated using pymatgen
data_Er7Th3(Sn3C)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   9.01741334
_cell_length_b   9.01741211
_cell_length_c   6.50166186
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000450
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er7Th3(Sn3C)2
_chemical_formula_sum   'Er7 Th3 Sn6 C2'
_cell_volume   457.84543322
_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  0.66666700  0.33333300  0.50207873  1.0
  Er  Er1  1  0.33333300  0.66666700  0.50207873  1.0
  Er  Er2  1  0.33333300  0.66666700  0.99792127  1.0
  Er  Er3  1  0.66666700  0.33333300  0.99792127  1.0
  Er  Er4  1  0.21280551  0.21280551  0.75000000  1.0
  Er  Er5  1  0.78719449  0.00000000  0.75000000  1.0
  Er  Er6  1  0.00000000  0.78719449  0.75000000  1.0
  Th  Th7  1  0.77821137  0.77821137  0.25000000  1.0
  Th  Th8  1  0.22178863  0.00000000  0.25000000  1.0
  Th  Th9  1  0.00000000  0.22178863  0.25000000  1.0
  Sn  Sn10  1  0.40857466  0.40857466  0.25000000  1.0
  Sn  Sn11  1  0.59142534  0.00000000  0.25000000  1.0
  Sn  Sn12  1  0.00000000  0.59142534  0.25000000  1.0
  Sn  Sn13  1  0.59825002  0.59825002  0.75000000  1.0
  Sn  Sn14  1  0.40174998  0.00000000  0.75000000  1.0
  Sn  Sn15  1  1.00000000  0.40174998  0.75000000  1.0
  C  C16  1  0.00000000  0.00000000  0.49876127  1.0
  C  C17  1  0.00000000  0.00000000  0.00123873  1.0