# generated using pymatgen
data_SmCo3NiB
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.02491968
_cell_length_b   5.02371820
_cell_length_c   6.87317700
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00790056
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmCo3NiB
_chemical_formula_sum   'Sm2 Co6 Ni2 B2'
_cell_volume   150.24774898
_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
  Sm  Sm0  1  0.99999300  0.00000000  0.00000000  1.0
  Sm  Sm1  1  0.99999600  0.00000000  0.50000000  1.0
  Co  Co2  1  0.50000100  0.00000000  0.28927500  1.0
  Co  Co3  1  0.49999800  0.50000500  0.28927400  1.0
  Co  Co4  1  0.99999300  0.49999500  0.28927400  1.0
  Co  Co5  1  0.50000100  0.00000000  0.71072500  1.0
  Co  Co6  1  0.49999800  0.50000500  0.71072600  1.0
  Co  Co7  1  0.99999300  0.49999500  0.71072600  1.0
  Ni  Ni8  1  0.33330000  0.66670300  0.00000000  1.0
  Ni  Ni9  1  0.66659700  0.33329700  0.00000000  1.0
  B  B10  1  0.33332800  0.66672500  0.50000000  1.0
  B  B11  1  0.66660300  0.33327500  0.50000000  1.0