data_[Lu3Sc1V4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Lu  1.2700  1.7500  1.0010
  Sc  1.3600  1.6000  0.8850
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.2287]
_cell_length_b [7.6059]
_cell_length_c [5.6082]
_cell_angle_alpha [90.0000]
_cell_angle_beta [91.1111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Lu3ScV4O12]
_chemical_formula_sum '[Lu3 Sc1 V4 O12]'
_cell_volume [222.9912]
_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
[
  Lu  Lu0  1  0.0255  0.0000  0.0762  1.0
  Lu  Lu1  1  0.5192  0.5000  0.4319  1.0
  Lu  Lu2  1  0.9728  0.5000  0.9235  1.0
  Sc  Sc3  1  0.4831  0.0000  0.5637  1.0
  V  V4  2  0.5004  0.2480  0.9983  1.0
  V  V5  2  0.9991  0.2482  0.5017  1.0
  O  O6  2  0.1873  0.1840  0.8116  1.0
  O  O7  2  0.3148  0.1788  0.3178  1.0
  O  O8  2  0.6913  0.3173  0.6900  1.0
  O  O9  2  0.8136  0.3133  0.1884  1.0
  O  O10  1  0.1315  0.5000  0.5525  1.0
  O  O11  1  0.3707  0.5000  0.0541  1.0
  O  O12  1  0.6293  0.0000  0.9353  1.0
  O  O13  1  0.8546  0.0000  0.4470  1.0
]