data_[Sm2Zn1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Sm  1.1700  1.8500  1.2290
  Zn  1.6500  1.3500  0.8800
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.6546]
_cell_length_b [5.6598]
_cell_length_c [5.7307]
_cell_angle_alpha [90.5760]
_cell_angle_beta [118.9873]
_cell_angle_gamma [119.4545]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Sm2ZnMoO6]
_chemical_formula_sum '[Sm2 Zn1 Mo1 O6]'
_cell_volume [132.0571]
_cell_formula_units_Z [1]
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
[
  Sm  Sm0  1  0.5511  0.7720  0.3296  1.0
  Sm  Sm1  1  0.5559  0.2818  0.8391  1.0
  Zn  Zn2  1  0.0118  0.5035  0.5256  1.0
  Mo  Mo3  1  0.9991  0.9984  0.0011  1.0
  O  O4  1  0.0730  0.8631  0.7180  1.0
  O  O5  1  0.0773  0.7329  0.2088  1.0
  O  O6  1  0.4960  0.6424  0.7165  1.0
  O  O7  1  0.4995  0.3526  0.2196  1.0
  O  O8  1  0.8665  0.2152  0.7271  1.0
  O  O9  1  0.8696  0.1381  0.2149  1.0
]