data_[Ba2Mn4P4O18]
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
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.1486]
_cell_length_b [5.0869]
_cell_length_c [8.3991]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1887]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [BaMn2P2O9]
_chemical_formula_sum '[Ba2 Mn4 P4 O18]'
_cell_volume [387.8081]
_cell_formula_units_Z [2]
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  2  0.0000  0.1060  0.0000  1.0
  Mn  Mn1  4  0.1443  0.5740  0.6315  1.0
  P  P2  4  0.1675  0.6122  0.2615  1.0
  O  O3  4  0.0008  0.6442  0.7993  1.0
  O  O4  4  0.2012  0.7341  0.4340  1.0
  O  O5  4  0.2066  0.3166  0.2477  1.0
  O  O6  4  0.2408  0.2848  0.8393  1.0
  O  O7  2  0.0000  0.3899  0.5000  1.0
]