data_[Ba2Li1Mn2P4O14]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Li  0.9800  1.4500  0.9000
  Mn  1.5500  1.4000  0.6483
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.5598]
_cell_length_b [7.5939]
_cell_length_c [8.3547]
_cell_angle_alpha [103.8396]
_cell_angle_beta [93.3262]
_cell_angle_gamma [93.2436]
_symmetry_Int_Tables_number [1]
_chemical_formula_structural [Ba2LiMn2(P2O7)2]
_chemical_formula_sum '[Ba2 Li1 Mn2 P4 O14]'
_cell_volume [341.0217]
_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  0.2075  0.9352  0.7991  1
  Ba  Ba1  1  0.8111  0.0364  0.2215  1
  Li  Li2  1  0.0381  0.4290  0.9612  1
  Mn  Mn3  1  0.1931  0.3862  0.6201  1
  Mn  Mn4  1  0.8075  0.5950  0.3950  1
  P  P5  1  0.2911  0.3779  0.2161  1
  P  P6  1  0.3051  0.7755  0.2668  1
  P  P7  1  0.6864  0.1920  0.6960  1
  P  P8  1  0.7171  0.6079  0.7845  1
  O  O9  1  0.0868  0.7970  0.3736  1
  O  O10  1  0.1261  0.3957  0.3623  1
  O  O11  1  0.1761  0.2368  0.0650  1
  O  O12  1  0.2638  0.5645  0.1503  1
  O  O13  1  0.3061  0.9007  0.1491  1
  O  O14  1  0.4242  0.1704  0.6217  1
  O  O15  1  0.4580  0.6253  0.7206  1
  O  O16  1  0.5516  0.7832  0.3619  1
  O  O17  1  0.5590  0.3661  0.2641  1
  O  O18  1  0.7273  0.4031  0.8209  1
  O  O19  1  0.7304  0.0721  0.8160  1
  O  O20  1  0.8162  0.7331  0.9479  1
  O  O21  1  0.8713  0.1837  0.5652  1
  O  O22  1  0.8962  0.6124  0.6471  1
]