# generated using pymatgen
data_CaSm2Zn11
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.34814546
_cell_length_b   8.16481799
_cell_length_c   8.16481782
_cell_angle_alpha   66.86721238
_cell_angle_beta   74.55737849
_cell_angle_gamma   74.55737563
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm2Zn11
_chemical_formula_sum   'Ca1 Sm2 Zn11'
_cell_volume   252.62680714
_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  0.00000000  0.00000000  0.00000000  1.0
  Sm  Sm1  1  0.70250134  0.29749866  0.29749866  1.0
  Sm  Sm2  1  0.29749866  0.70250134  0.70250134  1.0
  Zn  Zn3  1  0.00000000  0.50000000  0.50000000  1.0
  Zn  Zn4  1  0.50000000  0.31203722  0.68796278  1.0
  Zn  Zn5  1  0.50000000  0.68796278  0.31203722  1.0
  Zn  Zn6  1  0.66209082  0.97970268  0.69611669  1.0
  Zn  Zn7  1  0.33790918  0.02029732  0.30388331  1.0
  Zn  Zn8  1  0.66209082  0.69611669  0.97970268  1.0
  Zn  Zn9  1  0.33790918  0.30388331  0.02029732  1.0
  Zn  Zn10  1  0.86591931  0.85170470  0.41645868  1.0
  Zn  Zn11  1  0.13408069  0.14829530  0.58354132  1.0
  Zn  Zn12  1  0.86591931  0.41645868  0.85170470  1.0
  Zn  Zn13  1  0.13408069  0.58354132  0.14829530  1.0