data_[Cs2Y2Mo2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  Y  1.2200  1.8000  1.0400
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cmm2]
_cell_length_a [3.9619]
_cell_length_b [5.2436]
_cell_length_c [9.0657]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [35]
_chemical_formula_structural [CsYMo]
_chemical_formula_sum '[Cs2 Y2 Mo2]'
_cell_volume [188.3372]
_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
[
  Cs  Cs0  2  0.0000  0.5000  0.6908  1
  Y  Y1  2  0.0000  0.5000  0.1370  1
  Mo  Mo2  2  0.0000  0.0000  0.3562  1
]