# generated using pymatgen
data_Ca(MnS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.47949273
_cell_length_b   7.47949273
_cell_length_c   7.47949273
_cell_angle_alpha   122.03671303
_cell_angle_beta   117.80211629
_cell_angle_gamma   90.17865617
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(MnS2)2
_chemical_formula_sum   'Ca2 Mn4 S8'
_cell_volume   295.72527684
_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  0.00000000  1.0
  Ca  Ca1  1  0.50000000  0.00000000  0.50000000  1.0
  Mn  Mn2  1  0.50000000  0.00000000  0.00000000  1.0
  Mn  Mn3  1  0.00000000  0.50000000  0.50000000  1.0
  Mn  Mn4  1  0.50000000  0.50000000  0.50000000  1.0
  Mn  Mn5  1  0.50000000  0.50000000  0.00000000  1.0
  S  S6  1  0.30233200  0.25830500  0.04402700  1.0
  S  S7  1  0.72823100  0.24490500  0.01667400  1.0
  S  S8  1  0.71427800  0.25830500  0.45597300  1.0
  S  S9  1  0.27176900  0.28844400  0.51667400  1.0
  S  S10  1  0.28572200  0.74169500  0.54402700  1.0
  S  S11  1  0.27176900  0.75509500  0.98332600  1.0
  S  S12  1  0.72823100  0.71155600  0.48332600  1.0
  S  S13  1  0.69766800  0.74169500  0.95597300  1.0