data_[Ca10V6O25]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [10.0252]
_cell_length_b [10.0252]
_cell_length_c [6.8041]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [Ca10V6O25]
_chemical_formula_sum '[Ca10 V6 O25]'
_cell_volume [592.2212]
_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
[
  Ca  Ca0  6  0.0183  0.7729  0.7278  1
  Ca  Ca1  2  0.3333  0.6667  0.0135  1
  Ca  Ca2  2  0.3333  0.6667  0.5082  1
  V  V3  6  0.0266  0.4020  0.7589  1
  O  O4  6  0.0738  0.3142  0.9453  1
  O  O5  6  0.0979  0.3576  0.5526  1
  O  O6  6  0.1332  0.6051  0.7754  1
  O  O7  6  0.1682  0.6686  0.2563  1
  O  O8  1  0.0000  0.0000  0.5000  1
]