# generated using pymatgen
data_Zr3S4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   30.65101308
_cell_length_b   30.65101308
_cell_length_c   6.36999536
_cell_angle_alpha   89.39923229
_cell_angle_beta   89.39923229
_cell_angle_gamma   6.67389097
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr3S4
_chemical_formula_sum   'Zr15 S20'
_cell_volume   695.47060660
_cell_formula_units_Z   5
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
  Zr  Zr0  1  0.34996500  0.34996500  0.93494800  1.0
  Zr  Zr1  1  0.75050500  0.75050500  0.71810600  1.0
  Zr  Zr2  1  0.15044800  0.15044800  0.53918800  1.0
  Zr  Zr3  1  0.05034600  0.05034600  0.84673700  1.0
  Zr  Zr4  1  0.54995400  0.54995400  0.35328100  1.0
  Zr  Zr5  1  0.45004600  0.45004600  0.64671900  1.0
  Zr  Zr6  1  0.94965400  0.94965400  0.15326300  1.0
  Zr  Zr7  1  0.40067200  0.40067200  0.29702300  1.0
  Zr  Zr8  1  0.84955200  0.84955200  0.46081200  1.0
  Zr  Zr9  1  0.24949500  0.24949500  0.28189400  1.0
  Zr  Zr10  1  0.69997300  0.69997300  0.40838300  1.0
  Zr  Zr11  1  0.65003500  0.65003500  0.06505200  1.0
  Zr  Zr12  1  0.59932800  0.59932800  0.70297700  1.0
  Zr  Zr13  1  0.50000000  0.50000000  0.00000000  1.0
  Zr  Zr14  1  0.30002700  0.30002700  0.59161700  1.0
  S  S15  1  0.07650200  0.07650200  0.50472500  1.0
  S  S16  1  0.47551900  0.47551900  0.32654900  1.0
  S  S17  1  0.37595400  0.37595400  0.62257900  1.0
  S  S18  1  0.87589100  0.87589100  0.11087400  1.0
  S  S19  1  0.77792200  0.77792200  0.39096700  1.0
  S  S20  1  0.27354800  0.27354800  0.91548700  1.0
  S  S21  1  0.72645200  0.72645200  0.08451300  1.0
  S  S22  1  0.17729000  0.17729000  0.20551600  1.0
  S  S23  1  0.67465200  0.67465200  0.73107900  1.0
  S  S24  1  0.12410900  0.12410900  0.88912600  1.0
  S  S25  1  0.57540500  0.57540500  0.03091400  1.0
  S  S26  1  0.02382900  0.02382900  0.19046000  1.0
  S  S27  1  0.52448100  0.52448100  0.67345100  1.0
  S  S28  1  0.97617100  0.97617100  0.80954000  1.0
  S  S29  1  0.42459500  0.42459500  0.96908600  1.0
  S  S30  1  0.92349800  0.92349800  0.49527500  1.0
  S  S31  1  0.82271000  0.82271000  0.79448400  1.0
  S  S32  1  0.32534800  0.32534800  0.26892100  1.0
  S  S33  1  0.22207800  0.22207800  0.60903300  1.0
  S  S34  1  0.62404600  0.62404600  0.37742100  1.0