data_[Ca1Tm2V1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tm  1.2500  1.7500  1.0950
  V  1.6300  1.3500  0.7775
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5271]
_cell_length_b [5.5769]
_cell_length_c [5.8380]
_cell_angle_alpha [61.6877]
_cell_angle_beta [62.4544]
_cell_angle_gamma [60.3165]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [CaTm2VO6]
_chemical_formula_sum '[Ca1 Tm2 V1 O6]'
_cell_volume [131.3987]
_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  0.8081  0.8018  0.5914  1.0
  Tm  Tm1  1  0.0260  0.0137  0.9390  1.0
  Tm  Tm2  1  0.5288  0.5289  0.4200  1.0
  V  V3  1  0.3211  0.3212  0.0425  1.0
  O  O4  1  0.1431  0.3981  0.7754  1.0
  O  O5  1  0.2168  0.9560  0.2427  1.0
  O  O6  1  0.4024  0.6926  0.7635  1.0
  O  O7  1  0.5698  0.2265  0.2342  1.0
  O  O8  1  0.6905  0.1390  0.7674  1.0
  O  O9  1  0.9550  0.5838  0.2392  1.0
]