data_[Ca2Mn4Si8O24]
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
  Si  1.9000  1.1000  0.5400
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [C2]
_cell_length_a [9.9098]
_cell_length_b [9.0034]
_cell_length_c [5.3008]
_cell_angle_alpha [90.0000]
_cell_angle_beta [108.8556]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [5]
_chemical_formula_structural [CaMn2(SiO3)4]
_chemical_formula_sum '[Ca2 Mn4 Si8 O24]'
_cell_volume [447.5724]
_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  2  0.0000  0.3058  0.5000  1.0
  Mn  Mn1  2  0.0000  0.0906  0.0000  1.0
  Mn  Mn2  2  0.0000  0.8888  0.5000  1.0
  Si  Si3  4  0.2095  0.5928  0.5205  1.0
  Si  Si4  4  0.2111  0.4094  0.0298  1.0
  O  O5  4  0.1120  0.0868  0.3770  1.0
  O  O6  4  0.1136  0.9212  0.8701  1.0
  O  O7  4  0.1354  0.2500  0.9374  1.0
  O  O8  4  0.1499  0.4831  0.2565  1.0
  O  O9  4  0.1518  0.7580  0.4575  1.0
  O  O10  4  0.1543  0.5060  0.7454  1.0
]