data_[Ba4Mn2Ag2As4O17]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Ag  1.9300  1.6000  1.0867
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.9932]
_cell_length_b [8.8873]
_cell_length_c [9.6291]
_cell_angle_alpha [64.7660]
_cell_angle_beta [89.6657]
_cell_angle_gamma [89.7408]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba4Mn2Ag2As4O17]
_chemical_formula_sum '[Ba4 Mn2 Ag2 As4 O17]'
_cell_volume [463.9311]
_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  0.2396  0.2205  0.8939  1
  Ba  Ba1  1  0.2481  0.7639  0.7663  1
  Ba  Ba2  1  0.7642  0.2446  0.2310  1
  Ba  Ba3  1  0.7675  0.7833  0.0963  1
  Mn  Mn4  1  0.4950  0.5014  0.4993  1
  Mn  Mn5  1  0.9988  0.5031  0.4985  1
  Ag  Ag6  1  0.2534  0.1659  0.4986  1
  Ag  Ag7  1  0.7489  0.8341  0.4965  1
  As  As8  1  0.2528  0.5077  0.1793  1
  As  As9  1  0.2794  0.9050  0.2948  1
  As  As10  1  0.7466  0.4895  0.8225  1
  As  As11  1  0.7594  0.0970  0.6931  1
  O  O12  1  0.0084  0.4636  0.2889  1
  O  O13  1  0.0171  0.9814  0.2107  1
  O  O14  1  0.2423  0.6804  0.4053  1
  O  O15  1  0.2465  0.3565  0.5814  1
  O  O16  1  0.2499  0.7165  0.0601  1
  O  O17  1  0.2533  0.3841  0.0830  1
  O  O18  1  0.3021  0.9524  0.4576  1
  O  O19  1  0.4924  0.4628  0.2919  1
  O  O20  1  0.5073  0.5355  0.7095  1
  O  O21  1  0.5223  0.0156  0.7982  1
  O  O22  1  0.7441  0.2810  0.9437  1
  O  O23  1  0.7447  0.6434  0.4146  1
  O  O24  1  0.7485  0.6129  0.9193  1
  O  O25  1  0.7524  0.3154  0.6032  1
  O  O26  1  0.7997  0.0490  0.5380  1
  O  O27  1  0.9815  0.0175  0.8154  1
  O  O28  1  0.9896  0.5332  0.7125  1
]