data_[Sc2Ga3Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ga  1.8100  1.3000  0.7600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [3.2575]
_cell_length_b [4.3934]
_cell_length_c [7.5444]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sc2Ga3Pt]
_chemical_formula_sum '[Sc2 Ga3 Pt1]'
_cell_volume [107.9722]
_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  1  0.0000  0.0000  0.4870  1.0
  Sc  Sc1  1  0.0000  0.5000  0.0148  1.0
  Ga  Ga2  1  0.5000  0.0000  0.1650  1.0
  Ga  Ga3  1  0.5000  0.0000  0.8326  1.0
  Ga  Ga4  1  0.5000  0.5000  0.6672  1.0
  Pt  Pt5  1  0.5000  0.5000  0.3335  1.0
]