data_[Sc12Ga4P4]
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
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [Cmmm]
_cell_length_a [9.3057]
_cell_length_b [12.9826]
_cell_length_c [3.5865]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [65]
_chemical_formula_structural [Sc3GaP]
_chemical_formula_sum '[Sc12 Ga4 P4]'
_cell_volume [433.2865]
_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  0.1873  0.1193  0.5000  1
  Sc  Sc1  4  0.0000  0.3270  0.0000  1
  Ga  Ga2  2  0.0000  0.0000  0.0000  1
  Ga  Ga3  2  0.0000  0.5000  0.5000  1
  P  P4  4  0.2500  0.2500  0.0000  1
]