# generated using pymatgen
data_Nd5ErS8
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.39907927
_cell_length_b   7.39907927
_cell_length_c   7.39907927
_cell_angle_alpha   109.70389315
_cell_angle_beta   109.70389315
_cell_angle_gamma   109.00687111
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Nd5ErS8
_chemical_formula_sum   'Nd5 Er1 S8'
_cell_volume   311.80981051
_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
  Nd  Nd0  1  0.62408600  0.75106800  0.62319600  1.0
  Nd  Nd1  1  0.99911000  0.37591400  0.12698200  1.0
  Nd  Nd2  1  0.12787200  0.00089000  0.37680400  1.0
  Nd  Nd3  1  0.50000000  0.50000000  0.00000000  1.0
  Nd  Nd4  1  0.24893200  0.87212800  0.87301800  1.0
  Er  Er5  1  0.75000000  0.25000000  0.50000000  1.0
  S  S6  1  0.72724500  0.98208100  0.11238800  1.0
  S  S7  1  0.86969300  0.61485600  0.88761200  1.0
  S  S8  1  0.52877200  0.12545400  0.74901400  1.0
  S  S9  1  0.87454600  0.62356000  0.40331800  1.0
  S  S10  1  0.22024200  0.47122800  0.59668200  1.0
  S  S11  1  0.38514400  0.27275500  0.25483700  1.0
  S  S12  1  0.01791900  0.13030700  0.74516300  1.0
  S  S13  1  0.37644000  0.77975800  0.25098600  1.0