data_[Ca4Mn4O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pbam]
_cell_length_a [5.5425]
_cell_length_b [10.2108]
_cell_length_c [3.8615]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [55]
_chemical_formula_structural [Ca2Mn2O5]
_chemical_formula_sum '[Ca4 Mn4 O10]'
_cell_volume [218.5377]
_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
[
  Ca  Ca0  4  0.1857  0.6314  0.5000  1.0
  Mn  Mn1  4  0.2202  0.8799  0.0000  1.0
  O  O2  4  0.0863  0.2035  0.0000  1.0
  O  O3  4  0.2223  0.8963  0.5000  1.0
  O  O4  2  0.0000  0.5000  0.0000  1.0
]