# generated using pymatgen
data_CaSmCuClO3
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.92161800
_cell_length_b   3.92161800
_cell_length_c   13.57128300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSmCuClO3
_chemical_formula_sum   'Ca2 Sm2 Cu2 Cl2 O6'
_cell_volume   208.71395197
_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  0.50000000  0.00000000  0.16100000  1.0
  Ca  Ca1  1  0.00000000  0.50000000  0.83900000  1.0
  Sm  Sm2  1  0.50000000  0.00000000  0.41096200  1.0
  Sm  Sm3  1  0.00000000  0.50000000  0.58903800  1.0
  Cu  Cu4  1  0.50000000  0.00000000  0.72280700  1.0
  Cu  Cu5  1  0.00000000  0.50000000  0.27719300  1.0
  Cl  Cl6  1  0.50000000  0.00000000  0.92602700  1.0
  Cl  Cl7  1  0.00000000  0.50000000  0.07397300  1.0
  O  O8  1  0.50000000  0.50000000  0.72551900  1.0
  O  O9  1  0.50000000  0.50000000  0.27448100  1.0
  O  O10  1  0.00000000  0.00000000  0.72551900  1.0
  O  O11  1  0.50000000  0.50000000  0.50000000  1.0
  O  O12  1  0.00000000  0.00000000  0.27448100  1.0
  O  O13  1  0.00000000  0.00000000  0.50000000  1.0