data_[Tm1Mg2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Tm  1.2500  1.7500  1.0950
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2909]
_cell_length_b [5.3253]
_cell_length_c [5.6766]
_cell_angle_alpha [62.1298]
_cell_angle_beta [62.9629]
_cell_angle_gamma [60.7439]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [TmMg2MoO6]
_chemical_formula_sum '[Tm1 Mg2 Mo1 O6]'
_cell_volume [117.9339]
_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  0.8161  0.8057  0.5769  1.0
  Mg  Mg1  1  0.0285  0.0112  0.9377  1.0
  Mg  Mg2  1  0.5261  0.5275  0.4305  1.0
  Mo  Mo3  1  0.3201  0.3221  0.0470  1.0
  O  O4  1  0.1337  0.3934  0.7679  1.0
  O  O5  1  0.2182  0.9361  0.2471  1.0
  O  O6  1  0.3983  0.7104  0.7582  1.0
  O  O7  1  0.5779  0.2293  0.2470  1.0
  O  O8  1  0.7090  0.1290  0.7625  1.0
  O  O9  1  0.9335  0.5969  0.2405  1.0
]