data_[Ca2Mg4Mn2Fe4P8O52]
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
  Mn  1.5500  1.4000  0.6483
  Fe  1.8300  1.4000  0.8525
  P  2.1900  1.0000  0.5500
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [P2/c]
_cell_length_a [10.3134]
_cell_length_b [6.9140]
_cell_length_c [14.6386]
_cell_angle_alpha [90.0000]
_cell_angle_beta [110.0843]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [13]
_chemical_formula_structural [CaMg2MnFe2(P2O13)2]
_chemical_formula_sum '[Ca2 Mg4 Mn2 Fe4 P8 O52]'
_cell_volume [980.3573]
_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  0.0251  0.2500  1
  Mg  Mg1  2  0.5000  0.0000  0.0000  1
  Mg  Mg2  2  0.5000  0.4929  0.7500  1
  Mn  Mn3  2  0.0000  0.4746  0.7500  1
  Fe  Fe4  2  0.0000  0.0000  0.0000  1
  Fe  Fe5  2  0.0000  0.5000  0.0000  1
  P  P6  4  0.1866  0.2772  0.6988  1
  P  P7  4  0.1998  0.2567  0.4232  1
  O  O8  4  0.0687  0.2494  0.0198  1
  O  O9  4  0.0816  0.4514  0.6489  1
  O  O10  4  0.1198  0.0643  0.4259  1
  O  O11  4  0.1293  0.3232  0.3128  1
  O  O12  4  0.1373  0.0870  0.6438  1
  O  O13  4  0.1393  0.2719  0.7925  1
  O  O14  4  0.1754  0.4117  0.4912  1
  O  O15  4  0.3352  0.3262  0.7212  1
  O  O16  4  0.3497  0.2070  0.4447  1
  O  O17  4  0.3632  0.2363  0.9964  1
  O  O18  4  0.3795  0.2403  0.2022  1
  O  O19  4  0.4525  0.0604  0.1280  1
  O  O20  4  0.4589  0.4074  0.1040  1
]