data_[Sc4Zn2Ga5]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.0308]
_cell_length_b [3.1918]
_cell_length_c [9.0588]
_cell_angle_alpha [90.0000]
_cell_angle_beta [94.5135]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Sc4Zn2Ga5]
_chemical_formula_sum '[Sc4 Zn2 Ga5]'
_cell_volume [202.6562]
_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
[
  Sc  Sc0  2  0.1735  0.5000  0.8888  1.0
  Sc  Sc1  2  0.2800  0.5000  0.4374  1.0
  Zn  Zn2  2  0.0606  0.0000  0.6329  1.0
  Ga  Ga3  2  0.1858  0.0000  0.1653  1.0
  Ga  Ga4  2  0.4330  0.0000  0.7001  1.0
  Ga  Ga5  1  0.5000  0.0000  0.0000  1.0
]