data_[Tm2Zn1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  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 [5.4781]
_cell_length_b [5.5313]
_cell_length_c [5.8295]
_cell_angle_alpha [61.7333]
_cell_angle_beta [61.9841]
_cell_angle_gamma [60.3692]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Tm2ZnMoO6]
_chemical_formula_sum '[Tm2 Zn1 Mo1 O6]'
_cell_volume [128.6699]
_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
[
  Tm  Tm0  1  0.2978  0.2987  0.1172  1.0
  Tm  Tm1  1  0.7884  0.7849  0.6346  1.0
  Zn  Zn2  1  0.5289  0.5083  0.4534  1.0
  Mo  Mo3  1  0.0010  0.9951  0.0051  1.0
  O  O4  1  0.0936  0.7267  0.8142  1.0
  O  O5  1  0.2092  0.6148  0.3000  1.0
  O  O6  1  0.3634  0.1064  0.8069  1.0
  O  O7  1  0.6209  0.8882  0.2925  1.0
  O  O8  1  0.7106  0.3756  0.7907  1.0
  O  O9  1  0.8863  0.2012  0.2851  1.0
]