# generated using pymatgen
data_Ca(TaS2)3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.80114313
_cell_length_b   5.80114197
_cell_length_c   14.27316901
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00001230
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(TaS2)3
_chemical_formula_sum   'Ca2 Ta6 S12'
_cell_volume   415.98537365
_cell_formula_units_Z   2
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
  Ca  Ca0  1  0.00000000  0.00000000  0.50000000  1.0
  Ca  Ca1  1  0.00000000  0.00000000  0.00000000  1.0
  Ta  Ta2  1  0.33333300  0.66666700  0.25000000  1.0
  Ta  Ta3  1  0.66666700  0.33333300  0.75000000  1.0
  Ta  Ta4  1  0.66666700  0.33333300  0.25000000  1.0
  Ta  Ta5  1  0.33333300  0.66666700  0.75000000  1.0
  Ta  Ta6  1  0.00000000  0.00000000  0.25000000  1.0
  Ta  Ta7  1  0.00000000  0.00000000  0.75000000  1.0
  S  S8  1  0.33607355  0.00000000  0.14122920  1.0
  S  S9  1  0.00000000  0.33607355  0.14122920  1.0
  S  S10  1  0.66392645  0.66392645  0.14122920  1.0
  S  S11  1  0.33607355  0.33607355  0.64122920  1.0
  S  S12  1  0.66392645  0.66392645  0.35877080  1.0
  S  S13  1  0.66392645  1.00000000  0.64122920  1.0
  S  S14  1  1.00000000  0.66392645  0.64122920  1.0
  S  S15  1  1.00000000  0.66392645  0.85877080  1.0
  S  S16  1  0.33607355  0.33607355  0.85877080  1.0
  S  S17  1  0.00000000  0.33607355  0.35877080  1.0
  S  S18  1  0.33607355  0.00000000  0.35877080  1.0
  S  S19  1  0.66392645  1.00000000  0.85877080  1.0