data_[Ca3V2Bi2O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5377]
_cell_length_b [7.2940]
_cell_length_c [7.6062]
_cell_angle_alpha [76.9477]
_cell_angle_beta [85.6801]
_cell_angle_gamma [89.2011]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ca3V2(BiO6)2]
_chemical_formula_sum '[Ca3 V2 Bi2 O12]'
_cell_volume [298.4415]
_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  1  0.2258  0.9216  0.3058  1.0
  Ca  Ca1  1  0.2460  0.2912  0.9140  1.0
  Ca  Ca2  1  0.7310  0.7128  0.0747  1.0
  V  V3  1  0.2180  0.7906  0.8021  1.0
  V  V4  1  0.6782  0.1853  0.1934  1.0
  Bi  Bi5  1  0.2636  0.4123  0.4215  1.0
  Bi  Bi6  1  0.7459  0.6087  0.5739  1.0
  O  O7  1  0.0056  0.4029  0.6626  1.0
  O  O8  1  0.0502  0.8260  0.6078  1.0
  O  O9  1  0.0901  0.5948  0.9447  1.0
  O  O10  1  0.1521  0.9635  0.9157  1.0
  O  O11  1  0.4901  0.6740  0.3629  1.0
  O  O12  1  0.4956  0.3860  0.6527  1.0
  O  O13  1  0.5165  0.1141  0.4014  1.0
  O  O14  1  0.5454  0.7518  0.7719  1.0
  O  O15  1  0.5572  0.4062  0.1001  1.0
  O  O16  1  0.5716  0.0286  0.0755  1.0
  O  O17  1  0.9752  0.6539  0.3260  1.0
  O  O18  1  0.9965  0.1850  0.1979  1.0
]