# generated using pymatgen
data_CaSm(BC)4
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.35454376
_cell_length_b   5.35454376
_cell_length_c   3.72980223
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   90.00000000
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaSm(BC)4
_chemical_formula_sum   'Ca1 Sm1 B4 C4'
_cell_volume   106.93767782
_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  0.50000000  0.50000000  0.00000000  1.0
  Sm  Sm1  1  0.00000000  0.00000000  0.00000000  1.0
  B  B2  1  0.13855317  0.63733965  0.50000000  1.0
  B  B3  1  0.63733965  0.86144683  0.50000000  1.0
  B  B4  1  0.36266035  0.13855317  0.50000000  1.0
  B  B5  1  0.86144683  0.36266035  0.50000000  1.0
  C  C6  1  0.84007263  0.66205747  0.50000000  1.0
  C  C7  1  0.33794253  0.84007263  0.50000000  1.0
  C  C8  1  0.15992737  0.33794253  0.50000000  1.0
  C  C9  1  0.66205747  0.15992737  0.50000000  1.0