data_[Ca10Mg2O10]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Mg  1.3100  1.5000  0.8600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.7057]
_cell_length_b [4.8200]
_cell_length_c [6.7935]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.4255]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [Ca5MgO5]
_chemical_formula_sum '[Ca10 Mg2 O10]'
_cell_volume [332.5883]
_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  0.1677  0.5000  0.8422  1
  Ca  Ca1  4  0.1700  0.5000  0.3230  1
  Ca  Ca2  2  0.0000  0.0000  0.5000  1
  Mg  Mg3  2  0.0000  0.0000  0.0000  1
  O  O4  4  0.1571  0.0000  0.8421  1
  O  O5  4  0.1598  0.0000  0.3158  1
  O  O6  2  0.0000  0.5000  0.0000  1
]