data_[Ca10Mn2O12]
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 [C2/m]
_cell_length_a [5.8541]
_cell_length_b [10.1535]
_cell_length_c [5.8490]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.3699]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5MnO6]
_chemical_formula_sum '[Ca10 Mn2 O12]'
_cell_volume [327.9865]
_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  0.0000  0.1647  0.5000  1.0
  Ca  Ca1  4  0.0000  0.3329  0.0000  1.0
  Ca  Ca2  2  0.0000  0.5000  0.5000  1.0
  Mn  Mn3  2  0.0000  0.0000  0.0000  1.0
  O  O4  8  0.2464  0.1636  0.2479  1.0
  O  O5  4  0.2444  0.0000  0.7549  1.0
]