data_[Sm2Zr2Ga8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zr  1.3300  1.5500  0.8600
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.0751]
_cell_length_b [4.0751]
_cell_length_c [14.5478]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [119]
_chemical_formula_structural [SmZrGa4]
_chemical_formula_sum '[Sm2 Zr2 Ga8]'
_cell_volume [241.5849]
_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  0.0000  0.0000  1
  Zr  Zr1  2  0.0000  0.5000  0.7500  1
  Ga  Ga2  4  0.0000  0.0000  0.4154  1
  Ga  Ga3  4  0.0000  0.5000  0.1696  1
]