data_[Cs4Ca4V4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Ca  1.0000  1.8000  1.1400
  V  1.6300  1.3500  0.7775
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [10.4988]
_cell_length_b [3.7801]
_cell_length_c [12.4519]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [62]
_chemical_formula_structural [CsCaV]
_chemical_formula_sum '[Cs4 Ca4 V4]'
_cell_volume [494.1773]
_cell_formula_units_Z [4]
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
[
  Cs  Cs0  4  0.0286  0.7500  0.1457  1
  Ca  Ca1  4  0.1179  0.7500  0.5793  1
  V  V2  4  0.1961  0.2500  0.3749  1
]