data_[Mg2Mn1Mo1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mg  1.3100  1.5000  0.8600
  Mn  1.5500  1.4000  0.6483
  Mo  2.1600  1.4500  0.7750
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.1309]
_cell_length_b [5.1820]
_cell_length_c [5.4920]
_cell_angle_alpha [117.4504]
_cell_angle_beta [90.2728]
_cell_angle_gamma [118.1021]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mg2MnMoO6]
_chemical_formula_sum '[Mg2 Mn1 Mo1 O6]'
_cell_volume [109.6170]
_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  0.4724  0.9549  0.4344  1.0
  Mg  Mg1  1  0.9878  0.9526  0.9283  1.0
  Mn  Mn2  1  0.1907  0.3787  0.5584  1.0
  Mo  Mo3  1  0.6860  0.3667  0.0514  1.0
  O  O4  1  0.0680  0.4701  0.2704  1.0
  O  O5  1  0.2886  0.1882  0.7536  1.0
  O  O6  1  0.3910  0.1863  0.2563  1.0
  O  O7  1  0.5911  0.9000  0.7749  1.0
  O  O8  1  0.7617  0.8127  0.2328  1.0
  O  O9  1  0.9010  0.4667  0.7547  1.0
]