data_[Mg1Sc2Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Sc  1.3600  1.6000  0.8850
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3108]
_cell_length_b [5.3127]
_cell_length_c [5.6475]
_cell_angle_alpha [117.3554]
_cell_angle_beta [90.3073]
_cell_angle_gamma [119.5396]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgSc2MoO6]
_chemical_formula_sum '[Mg1 Sc2 Mo1 O6]'
_cell_volume [117.4517]
_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
[
  Mg  Mg0  1  0.8139  0.6244  0.4314  1.0
  Sc  Sc1  1  0.0184  0.0475  0.0632  1.0
  Sc  Sc2  1  0.5286  0.0497  0.5707  1.0
  Mo  Mo3  1  0.3210  0.6367  0.9516  1.0
  O  O4  1  0.1147  0.8213  0.2371  1.0
  O  O5  1  0.2144  0.8175  0.7474  1.0
  O  O6  1  0.4144  0.5325  0.2423  1.0
  O  O7  1  0.6005  0.5284  0.7501  1.0
  O  O8  1  0.7152  0.1354  0.2483  1.0
  O  O9  1  0.9204  0.1298  0.7426  1.0
]