data_[Sc16Ga4O4]
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
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5280]
_cell_length_b [15.6500]
_cell_length_c [6.0927]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [63]
_chemical_formula_structural [Sc4GaO]
_chemical_formula_sum '[Sc16 Ga4 O4]'
_cell_volume [431.7474]
_cell_formula_units_Z [4]
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  8  0.0000  0.3051  0.5059  1
  Sc  Sc1  4  0.0000  0.1026  0.7500  1
  Sc  Sc2  4  0.0000  0.5000  0.0000  1
  Ga  Ga3  4  0.0000  0.1034  0.2500  1
  O  O4  4  0.0000  0.4033  0.2500  1
]