data_[Ca4Sc2V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  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 [P2_1/c]
_cell_length_a [5.4323]
_cell_length_b [5.5751]
_cell_length_c [9.4484]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.8666]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [14]
_chemical_formula_structural [Ca2ScVO6]
_chemical_formula_sum '[Ca4 Sc2 V2 O12]'
_cell_volume [234.7863]
_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
[
  Ca  Ca0  4  0.2610  0.5492  0.7493  1.0
  Sc  Sc1  2  0.0000  0.0000  0.5000  1.0
  V  V2  2  0.5000  0.0000  0.0000  1.0
  O  O3  4  0.1763  0.5257  0.2629  1.0
  O  O4  4  0.2624  0.1950  0.0437  1.0
  O  O5  4  0.3554  0.7191  0.0477  1.0
]