data_[Mn2Ni1Ge1O6]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Ni  1.9100  1.3500  0.7400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0301]
_cell_length_b [5.0314]
_cell_length_c [5.3523]
_cell_angle_alpha [89.6069]
_cell_angle_beta [63.1970]
_cell_angle_gamma [60.7995]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Mn2NiGeO6]
_chemical_formula_sum '[Mn2 Ni1 Ge1 O6]'
_cell_volume [101.5152]
_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  0.0283  0.9874  0.9604  1.0
  Mn  Mn1  1  0.0393  0.4819  0.4448  1.0
  Ni  Ni2  1  0.6196  0.1877  0.5653  1.0
  Ge  Ge3  1  0.6355  0.6832  0.0458  1.0
  O  O4  1  0.1169  0.5931  0.7493  1.0
  O  O5  1  0.1667  0.7690  0.2393  1.0
  O  O6  1  0.5028  0.8916  0.7751  1.0
  O  O7  1  0.5593  0.0495  0.2288  1.0
  O  O8  1  0.8254  0.4027  0.2433  1.0
  O  O9  1  0.8293  0.2925  0.7630  1.0
]