# generated using pymatgen
data_CaV2S5
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.23592700
_cell_length_b   5.95370300
_cell_length_c   14.24657300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaV2S5
_chemical_formula_sum   'Ca2 V4 S10'
_cell_volume   359.29075379
_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  0.50000000  0.62568000  0.00000000  1.0
  Ca  Ca1  1  0.00000000  0.37432000  0.50000000  1.0
  V  V2  1  0.00000000  0.10629100  0.84748000  1.0
  V  V3  1  0.50000000  0.89370900  0.65252000  1.0
  V  V4  1  0.50000000  0.89370900  0.34748000  1.0
  V  V5  1  0.00000000  0.10629100  0.15252000  1.0
  S  S6  1  0.50000000  0.03911300  0.50000000  1.0
  S  S7  1  0.00000000  0.96088700  0.00000000  1.0
  S  S8  1  0.50000000  0.94444400  0.81981600  1.0
  S  S9  1  0.00000000  0.05555600  0.68018400  1.0
  S  S10  1  0.50000000  0.94444400  0.18018400  1.0
  S  S11  1  0.00000000  0.05555600  0.31981600  1.0
  S  S12  1  0.00000000  0.45996400  0.12852000  1.0
  S  S13  1  0.50000000  0.54003600  0.37148000  1.0
  S  S14  1  0.50000000  0.54003600  0.62852000  1.0
  S  S15  1  0.00000000  0.45996400  0.87148000  1.0