data_SmNiC2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.73
_cell_length_b   3.79
_cell_length_c   3.79
_cell_angle_alpha   73.57
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNiC2
_chemical_formula_sum   'Sm1 Ni1 C2'
_cell_volume   51.38
_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
  Sm  Sm0  1  0.86  0.0  0.01  1.0
  Ni  Ni1  1  0.0  0.0  0.38  1.0
  C  C2  1  0.0  0.68  0.27  1.0
  C  C3  1  0.0  0.32  0.27  1.0

data_SmNiC2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.73
_cell_length_b   3.79
_cell_length_c   3.79
_cell_angle_alpha   106.43
_cell_angle_beta   90.0
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SmNiC2
_chemical_formula_sum   'Sm1 Ni1 C2'
_cell_volume   51.38
_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
  Sm  Sm0  1  0.14  0.0  0.99  1.0
  Ni  Ni1  1  0.0  0.0  0.62  1.0
  C  C2  1  -0.0  0.32  0.73  1.0
  C  C3  1  0.0  0.68  0.73  1.0

Sm Ni C C
Sm Ni C C 0 2 + - o 0 1 + o o 1 2 o - o 1 3 o o o 2 3 o o o 