data_[Ca2Ho2V4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ho  1.2300  1.7500  1.0410
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pc]
_cell_length_a [5.3499]
_cell_length_b [5.5810]
_cell_length_c [9.2720]
_cell_angle_alpha [90.0000]
_cell_angle_beta [124.4926]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [7]
_chemical_formula_structural [CaHoV2O6]
_chemical_formula_sum '[Ca2 Ho2 V4 O12]'
_cell_volume [228.1752]
_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  2  0.7346  0.3032  0.2485  1
  Ho  Ho1  2  0.2727  0.1837  0.7511  1
  V  V2  2  0.5008  0.2538  0.5001  1
  V  V3  2  0.9985  0.2535  0.0001  1
  O  O4  2  0.1501  0.2157  0.2389  1
  O  O5  2  0.2448  0.4462  0.5556  1
  O  O6  2  0.3424  0.0408  0.0497  1
  O  O7  2  0.6415  0.4431  0.9470  1
  O  O8  2  0.7417  0.0391  0.4477  1
  O  O9  2  0.8728  0.2799  0.7613  1
]