# generated using pymatgen
data_Ca6SmPbN4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.64335000
_cell_length_b   11.83666234
_cell_length_c   11.38861556
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca6SmPbN4
_chemical_formula_sum   'Ca12 Sm2 Pb2 N8'
_cell_volume   491.13522687
_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  0.50049859  0.66903683  0.24027838  1.0
  Ca  Ca1  1  0.50049859  0.33096317  0.75972162  1.0
  Ca  Ca2  1  0.49950141  0.16903683  0.25972162  1.0
  Ca  Ca3  1  0.49950141  0.83096317  0.74027838  1.0
  Ca  Ca4  1  0.00012249  0.92784593  0.25222835  1.0
  Ca  Ca5  1  0.00012249  0.07215407  0.74777165  1.0
  Ca  Ca6  1  0.99987751  0.42784593  0.24777165  1.0
  Ca  Ca7  1  0.99987751  0.57215407  0.75222835  1.0
  Ca  Ca8  1  0.00040633  0.75487372  0.47614101  1.0
  Ca  Ca9  1  0.00040633  0.24512628  0.52385899  1.0
  Ca  Ca10  1  0.99959367  0.25487372  0.02385899  1.0
  Ca  Ca11  1  0.99959367  0.74512628  0.97614101  1.0
  Sm  Sm12  1  0.49876568  0.50000000  0.00000000  1.0
  Sm  Sm13  1  0.50123432  0.00000000  0.50000000  1.0
  Pb  Pb14  1  0.50048993  0.50000000  0.50000000  1.0
  Pb  Pb15  1  0.49951007  0.00000000  0.00000000  1.0
  N  N16  1  0.00066316  0.59895554  0.12375489  1.0
  N  N17  1  0.00066316  0.40104446  0.87624511  1.0
  N  N18  1  0.99933684  0.09895554  0.37624511  1.0
  N  N19  1  0.99933684  0.90104446  0.62375489  1.0
  N  N20  1  0.50011422  0.83715801  0.35819493  1.0
  N  N21  1  0.50011422  0.16284199  0.64180507  1.0
  N  N22  1  0.49988578  0.33715801  0.14180507  1.0
  N  N23  1  0.49988578  0.66284199  0.85819493  1.0