data_[Ba2Ca2V2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  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 [P2_1/m]
_cell_length_a [5.9118]
_cell_length_b [5.9571]
_cell_length_c [7.1378]
_cell_angle_alpha [90.0000]
_cell_angle_beta [107.3191]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [BaCaVO4]
_chemical_formula_sum '[Ba2 Ca2 V2 O8]'
_cell_volume [239.9738]
_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
[
  Ba  Ba0  2  0.2598  0.2500  0.0572  1.0
  Ca  Ca1  2  0.1736  0.2500  0.5325  1.0
  V  V2  2  0.2807  0.7500  0.3350  1.0
  O  O3  4  0.0505  0.5227  0.2893  1.0
  O  O4  2  0.4428  0.7500  0.1590  1.0
  O  O5  2  0.4619  0.7500  0.5796  1.0
]