data_[Mg1Mn2Ga1O6]
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
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0008]
_cell_length_b [5.0774]
_cell_length_c [5.3492]
_cell_angle_alpha [63.0922]
_cell_angle_beta [89.9145]
_cell_angle_gamma [61.0322]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [MgMn2GaO6]
_chemical_formula_sum '[Mg1 Mn2 Ga1 O6]'
_cell_volume [101.7547]
_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  0.8053  0.3917  0.4225  1.0
  Mn  Mn1  1  0.0135  0.9716  0.0400  1.0
  Mn  Mn2  1  0.5182  0.9613  0.5527  1.0
  Ga  Ga3  1  0.3103  0.3772  0.9403  1.0
  O  O4  1  0.1180  0.5004  0.2370  1.0
  O  O5  1  0.2309  0.8532  0.7601  1.0
  O  O6  1  0.3917  0.8778  0.2533  1.0
  O  O7  1  0.6189  0.1541  0.7599  1.0
  O  O8  1  0.7264  0.1436  0.2503  1.0
  O  O9  1  0.9284  0.4459  0.7685  1.0
]