# generated using pymatgen
data_Er3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.87005451
_cell_length_b   6.62061121
_cell_length_c   6.62271608
_cell_angle_alpha   71.56533863
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Er3S4
_chemical_formula_sum   'Er3 S4'
_cell_volume   160.98050478
_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  0.00000000  0.50000000  0.50000000  1.0
  Er  Er1  1  0.00000000  0.00000000  0.00000000  1.0
  Er  Er2  1  0.50000000  0.50000000  0.00000000  1.0
  S  S3  1  0.50000000  0.75291228  0.25295832  1.0
  S  S4  1  0.00000000  0.25823715  0.24181581  1.0
  S  S5  1  0.50000000  0.24708772  0.74704168  1.0
  S  S6  1  0.00000000  0.74176285  0.75818419  1.0