data_[Ca2Ac2Mo4O16]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ac  1.1000  1.9500  1.2600
  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 [5.4622]
_cell_length_b [5.4622]
_cell_length_c [11.7768]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [82]
_chemical_formula_structural [CaAc(MoO4)2]
_chemical_formula_sum '[Ca2 Ac2 Mo4 O16]'
_cell_volume [351.3718]
_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
  Ac  Ac1  2  0.0000  0.5000  0.2500  1
  Mo  Mo2  2  0.0000  0.0000  0.5000  1
  Mo  Mo3  2  0.0000  0.5000  0.7500  1
  O  O4  8  0.1407  0.7401  0.8331  1
  O  O5  8  0.1602  0.2503  0.4192  1
]