data_[Cs2Mn2P2O8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Cs  0.7900  2.6000  1.8100
  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 [P2_1/m]
_cell_length_a [5.2889]
_cell_length_b [5.7947]
_cell_length_c [8.2747]
_cell_angle_alpha [90.0000]
_cell_angle_beta [102.5621]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [11]
_chemical_formula_structural [CsMnPO4]
_chemical_formula_sum '[Cs2 Mn2 P2 O8]'
_cell_volume [247.5246]
_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
[
  Cs  Cs0  2  0.2641  0.2500  0.8712  1.0
  Mn  Mn1  2  0.3322  0.7500  0.4969  1.0
  P  P2  2  0.1587  0.2500  0.3144  1.0
  O  O3  4  0.3516  0.0362  0.3330  1.0
  O  O4  2  0.0346  0.2500  0.4680  1.0
  O  O5  2  0.0387  0.7500  0.8495  1.0
]