data_[Sm4Ga4C4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Ga  1.8100  1.3000  0.7600
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [7.5306]
_cell_length_b [4.0355]
_cell_length_c [7.6667]
_cell_angle_alpha [90.0000]
_cell_angle_beta [105.7369]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [SmGaC]
_chemical_formula_sum '[Sm4 Ga4 C4]'
_cell_volume [224.2538]
_cell_formula_units_Z [4]
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  4  0.0846  0.0000  0.8056  1
  Ga  Ga1  4  0.1669  0.5000  0.5191  1
  C  C2  4  0.0889  0.5000  0.0403  1
]