# generated using pymatgen
data_Ca2SnS4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.23671565
_cell_length_b   7.23671565
_cell_length_c   7.14332306
_cell_angle_alpha   61.56809636
_cell_angle_beta   61.56809636
_cell_angle_gamma   31.75467591
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2SnS4
_chemical_formula_sum   'Ca2 Sn1 S4'
_cell_volume   171.06835273
_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
  Ca  Ca0  1  0.71057000  0.71057000  0.30759600  1.0
  Ca  Ca1  1  0.28943000  0.28943000  0.69240400  1.0
  Sn  Sn2  1  0.00000000  0.00000000  0.00000000  1.0
  S  S3  1  0.63264400  0.63264400  0.00536700  1.0
  S  S4  1  0.36735600  0.36735600  0.99463300  1.0
  S  S5  1  0.88946300  0.88946300  0.39615800  1.0
  S  S6  1  0.11053700  0.11053700  0.60384200  1.0