data_[Be2Cd2Mo4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Be  1.5700  1.0500  0.5900
  Cd  1.6900  1.5500  1.0900
  Mo  2.1600  1.4500  0.7750
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [9.1608]
_cell_length_b [2.6884]
_cell_length_c [5.1237]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.6674]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [BeCdMo2]
_chemical_formula_sum '[Be2 Cd2 Mo4]'
_cell_volume [125.5680]
_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
[
  Be  Be0  2  0.0060  0.5000  0.5129  1
  Cd  Cd1  2  0.2531  0.5000  0.2678  1
  Mo  Mo2  2  0.0001  0.0000  0.9664  1
  Mo  Mo3  2  0.2408  0.0000  0.7529  1
]