data_[Sc6Ga2Te2]
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
  Te  2.1000  1.4000  1.2933
]
_symmetry_space_group_name_H-M [Pmmn]
_cell_length_a [4.2896]
_cell_length_b [6.3858]
_cell_length_c [8.5152]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [59]
_chemical_formula_structural [Sc3GaTe]
_chemical_formula_sum '[Sc6 Ga2 Te2]'
_cell_volume [233.2539]
_cell_formula_units_Z [2]
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  4  0.0000  0.2635  0.2218  1.0
  Sc  Sc1  2  0.0000  0.5000  0.5645  1.0
  Ga  Ga2  2  0.0000  0.0000  0.6364  1.0
  Te  Te3  2  0.0000  0.5000  0.9210  1.0
]