data_[Sc4Ga3Pt1]
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 [3.5127]
_cell_length_b [4.2524]
_cell_length_c [10.5561]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Sc4Ga3Pt]
_chemical_formula_sum '[Sc4 Ga3 Pt1]'
_cell_volume [157.6825]
_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  0.1435  1.0
  Sc  Sc1  1  0.0000  0.5000  0.8636  1.0
  Sc  Sc2  1  0.5000  0.0000  0.6516  1.0
  Sc  Sc3  1  0.5000  0.5000  0.3425  1.0
  Ga  Ga4  1  0.0000  0.0000  0.4227  1.0
  Ga  Ga5  1  0.0000  0.5000  0.5781  1.0
  Ga  Ga6  1  0.5000  0.0000  0.9174  1.0
  Pt  Pt7  1  0.5000  0.5000  0.0807  1.0
]