data_[Sm2Zn4Ga6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.0550]
_cell_length_b [6.2891]
_cell_length_c [6.2965]
_cell_angle_alpha [78.9054]
_cell_angle_beta [84.6481]
_cell_angle_gamma [85.7958]
_symmetry_Int_Tables_number [2]
_chemical_formula_structural [SmZn2Ga3]
_chemical_formula_sum '[Sm2 Zn4 Ga6]'
_cell_volume [233.8885]
_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  0.3589  0.2138  0.7148  1.0
  Zn  Zn1  2  0.1203  0.5007  0.3119  1.0
  Zn  Zn2  2  0.1876  0.0800  0.2730  1.0
  Ga  Ga3  2  0.1147  0.8103  0.0095  1.0
  Ga  Ga4  2  0.2024  0.7530  0.5801  1.0
  Ga  Ga5  2  0.4977  0.3349  0.1540  1.0
]