# generated using pymatgen
data_Ca(SmCo)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.91881833
_cell_length_b   3.91881818
_cell_length_c   21.07923738
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000125
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca(SmCo)2
_chemical_formula_sum   'Ca2 Sm4 Co4'
_cell_volume   280.34690538
_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  0.33333300  0.66666700  0.75000000  1.0
  Ca  Ca1  1  0.66666700  0.33333300  0.25000000  1.0
  Sm  Sm2  1  0.00000000  0.00000000  0.09172475  1.0
  Sm  Sm3  1  0.00000000  0.00000000  0.40827525  1.0
  Sm  Sm4  1  0.00000000  0.00000000  0.90827525  1.0
  Sm  Sm5  1  0.00000000  0.00000000  0.59172475  1.0
  Co  Co6  1  0.33333300  0.66666700  0.99699175  1.0
  Co  Co7  1  0.66666700  0.33333300  0.00300825  1.0
  Co  Co8  1  0.33333300  0.66666700  0.50300825  1.0
  Co  Co9  1  0.66666700  0.33333300  0.49699175  1.0