data_[Sm2Cr4Ga4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Cr  1.6600  1.4000  0.9400
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3714]
_cell_length_b [4.3714]
_cell_length_c [10.2364]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [129]
_chemical_formula_structural [Sm(CrGa)2]
_chemical_formula_sum '[Sm2 Cr4 Ga4]'
_cell_volume [195.6046]
_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  2  0.0000  0.5000  0.7483  1
  Cr  Cr1  2  0.0000  0.0000  0.0000  1
  Cr  Cr2  2  0.0000  0.5000  0.3724  1
  Ga  Ga3  2  0.0000  0.0000  0.5000  1
  Ga  Ga4  2  0.0000  0.5000  0.1299  1
]