data_[Sc1Ni2Ge1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sc  1.3600  1.6000  0.8850
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0128]
_cell_length_b [5.0577]
_cell_length_c [5.4506]
_cell_angle_alpha [62.4936]
_cell_angle_beta [89.6313]
_cell_angle_gamma [61.3110]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [ScNi2GeO6]
_chemical_formula_sum '[Sc1 Ni2 Ge1 O6]'
_cell_volume [103.3254]
_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  0.1937  0.6142  0.5719  1.0
  Ni  Ni1  1  0.4783  0.0445  0.4349  1.0
  Ni  Ni2  1  0.9861  0.0230  0.9660  1.0
  Ge  Ge3  1  0.6784  0.6342  0.0402  1.0
  O  O4  1  0.0547  0.1666  0.2284  1.0
  O  O5  1  0.2827  0.1129  0.7670  1.0
  O  O6  1  0.4119  0.5309  0.2483  1.0
  O  O7  1  0.5941  0.5348  0.7593  1.0
  O  O8  1  0.7802  0.8213  0.2327  1.0
  O  O9  1  0.8783  0.8407  0.7665  1.0
]