data_[Ca2Tb2Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [I-4]
_cell_length_a [5.2650]
_cell_length_b [5.2650]
_cell_length_c [11.4362]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CaTb(MoO4)2]
_chemical_formula_sum '[Ca2 Tb2 Mo4 O16]'
_cell_volume [317.0104]
_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  0.0000  0.0000  0.0000  1.0
  Tb  Tb1  2  0.0000  0.5000  0.7500  1.0
  Mo  Mo2  2  0.0000  0.0000  0.5000  1.0
  Mo  Mo3  2  0.0000  0.5000  0.2500  1.0
  O  O4  8  0.1583  0.2429  0.5852  1.0
  O  O5  8  0.1729  0.7586  0.1688  1.0
]