# generated using pymatgen
data_Ca(MnS2)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.55469774
_cell_length_b   7.55469774
_cell_length_c   7.55469774
_cell_angle_alpha   60.00000000
_cell_angle_beta   60.00000000
_cell_angle_gamma   60.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(MnS2)2
_chemical_formula_sum   'Ca2 Mn4 S8'
_cell_volume   304.88515651
_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  0.25000000  0.25000000  0.25000000  1.0
  Mn  Mn2  1  0.62500000  0.62500000  0.62500000  1.0
  Mn  Mn3  1  0.12500000  0.62500000  0.62500000  1.0
  Mn  Mn4  1  0.62500000  0.12500000  0.62500000  1.0
  Mn  Mn5  1  0.62500000  0.62500000  0.12500000  1.0
  S  S6  1  0.85656100  0.85656100  0.85656100  1.0
  S  S7  1  0.81968300  0.39343900  0.39343900  1.0
  S  S8  1  0.39343900  0.39343900  0.81968300  1.0
  S  S9  1  0.39343900  0.81968300  0.39343900  1.0
  S  S10  1  0.85656100  0.85656100  0.43031700  1.0
  S  S11  1  0.85656100  0.43031700  0.85656100  1.0
  S  S12  1  0.39343900  0.39343900  0.39343900  1.0
  S  S13  1  0.43031700  0.85656100  0.85656100  1.0