data_[Ca8Y4Mo4O20]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Ima2]
_cell_length_a [15.3868]
_cell_length_b [5.9501]
_cell_length_c [5.8153]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [46]
_chemical_formula_structural [Ca2YMoO5]
_chemical_formula_sum '[Ca8 Y4 Mo4 O20]'
_cell_volume [532.4099]
_cell_formula_units_Z [4]
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  8  0.1066  0.0184  0.4767  1
  Y  Y1  4  0.2500  0.5449  0.4467  1
  Mo  Mo2  4  0.0000  0.0000  0.0149  1
  O  O3  8  0.0377  0.7372  0.2542  1
  O  O4  8  0.1348  0.1134  0.0677  1
  O  O5  4  0.2500  0.6061  0.0694  1
]