data_[Mg1Mo2P2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mo  2.1600  1.4500  0.7750
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.3662]
_cell_length_b [5.5891]
_cell_length_c [7.4183]
_cell_angle_alpha [108.4288]
_cell_angle_beta [107.8299]
_cell_angle_gamma [96.0545]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMo2(PO5)2]
_chemical_formula_sum '[Mg1 Mo2 P2 O10]'
_cell_volume [195.8376]
_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  0.4922  0.3585  0.7438  1.0
  Mo  Mo1  1  0.2341  0.7338  0.4725  1.0
  Mo  Mo2  1  0.2385  0.7667  0.9855  1.0
  P  P3  1  0.5710  0.3798  0.2185  1.0
  P  P4  1  0.9119  0.1185  0.7359  1.0
  O  O5  1  0.1124  0.0886  0.6207  1.0
  O  O6  1  0.1774  0.8072  0.2300  1.0
  O  O7  1  0.3313  0.6550  0.7284  1.0
  O  O8  1  0.3899  0.4204  0.3475  1.0
  O  O9  1  0.4883  0.4945  0.0442  1.0
  O  O10  1  0.5516  0.0894  0.1138  1.0
  O  O11  1  0.6077  0.0192  0.5988  1.0
  O  O12  1  0.8609  0.5114  0.3627  1.0
  O  O13  1  0.9149  0.4117  0.8364  1.0
  O  O14  1  0.9771  0.9795  0.8866  1.0
]