# generated using pymatgen
data_Zr4InC2S
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.39526965
_cell_length_b   3.39526964
_cell_length_c   13.61307486
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000973
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr4InC2S
_chemical_formula_sum   'Zr4 In1 C2 S1'
_cell_volume   135.90497765
_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
  Zr  Zr0  1  0.33333300  0.66666700  0.43440927  1.0
  Zr  Zr1  1  0.66666700  0.33333300  0.88444772  1.0
  Zr  Zr2  1  0.66666700  0.33333300  0.61555228  1.0
  Zr  Zr3  1  0.33333300  0.66666700  0.06559073  1.0
  In  In4  1  0.66666700  0.33333300  0.25000000  1.0
  C  C5  1  0.00000000  0.00000000  0.52411469  1.0
  C  C6  1  0.00000000  0.00000000  0.97588531  1.0
  S  S7  1  0.33333300  0.66666700  0.75000000  1.0