data_[Ba1Cr2Ge1O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cr  1.6600  1.4000  0.9400
  Ge  2.0100  1.2500  0.7700
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P-3]
_cell_length_a [5.2233]
_cell_length_b [5.2233]
_cell_length_c [7.4268]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [120.0000]
_symmetry_Int_Tables_number [147]
_chemical_formula_structural [BaCr2GeO8]
_chemical_formula_sum '[Ba1 Cr2 Ge1 O8]'
_cell_volume [175.4742]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.0000  1
  Cr  Cr1  2  0.3333  0.6667  0.7198  1
  Ge  Ge2  1  0.0000  0.0000  0.5000  1
  O  O3  6  0.0564  0.3135  0.6561  1
  O  O4  2  0.3333  0.6667  0.9459  1
]