data_[Mn2Zn1Ga1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  Ga  1.8100  1.3000  0.7600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0109]
_cell_length_b [5.0935]
_cell_length_c [5.3366]
_cell_angle_alpha [116.4155]
_cell_angle_beta [89.9937]
_cell_angle_gamma [118.7173]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2ZnGaO6]
_chemical_formula_sum '[Mn2 Zn1 Ga1 O6]'
_cell_volume [102.9471]
_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
[
  Mn  Mn0  1  0.4815  0.9580  0.4430  1.0
  Mn  Mn1  1  0.9882  0.9740  0.9646  1.0
  Zn  Zn2  1  0.2077  0.4178  0.6057  1.0
  Ga  Ga3  1  0.6886  0.3752  0.0585  1.0
  O  O4  1  0.0708  0.4418  0.2283  1.0
  O  O5  1  0.2719  0.1394  0.7450  1.0
  O  O6  1  0.3802  0.1471  0.2340  1.0
  O  O7  1  0.6142  0.8846  0.7472  1.0
  O  O8  1  0.7556  0.8369  0.2271  1.0
  O  O9  1  0.8797  0.5022  0.7618  1.0
]