data_[Ca1Ho2V1O6]
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 [P1]
_cell_length_a [5.5678]
_cell_length_b [5.6163]
_cell_length_c [5.8508]
_cell_angle_alpha [90.9973]
_cell_angle_beta [117.6597]
_cell_angle_gamma [119.6586]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaHo2VO6]
_chemical_formula_sum '[Ca1 Ho2 V1 O6]'
_cell_volume [133.3637]
_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  0.3872  0.1964  0.5867  1.0
  Ho  Ho1  1  0.9386  0.4695  0.4151  1.0
  Ho  Ho2  1  0.9550  0.9838  0.9313  1.0
  V  V3  1  0.3590  0.6796  0.0435  1.0
  O  O4  1  0.1815  0.8658  0.7708  1.0
  O  O5  1  0.2112  0.7789  0.2368  1.0
  O  O6  1  0.4559  0.5947  0.7783  1.0
  O  O7  1  0.4577  0.4179  0.2419  1.0
  O  O8  1  0.8275  0.0388  0.2450  1.0
  O  O9  1  0.9032  0.3131  0.7657  1.0
]