data_[Ca4Gd2V2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Gd  1.2000  1.8000  1.0750
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.6623]
_cell_length_b [5.7160]
_cell_length_c [5.6819]
_cell_angle_alpha [90.0000]
_cell_angle_beta [123.6917]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca2GdVO6]
_chemical_formula_sum '[Ca4 Gd2 V2 O12]'
_cell_volume [261.1009]
_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  0.2464  0.0000  0.7184  1
  Gd  Gd1  2  0.0000  0.0000  0.0000  1
  V  V2  2  0.0000  0.5000  0.5000  1
  O  O3  8  0.0655  0.2659  0.3406  1
  O  O4  4  0.2223  0.5000  0.8378  1
]