data_[Ca3Ta2Mn2O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Ta  1.5000  1.4500  0.8200
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3213]
_cell_length_b [7.7681]
_cell_length_c [5.5133]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.2390]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca3Ta2Mn2O12]
_chemical_formula_sum '[Ca3 Ta2 Mn2 O12]'
_cell_volume [227.8980]
_cell_formula_units_Z [1]
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  1  0.0127  0.0000  0.9633  1.0
  Ca  Ca1  1  0.4860  0.0000  0.4420  1.0
  Ca  Ca2  1  0.9850  0.5000  0.0366  1.0
  Ta  Ta3  2  0.9953  0.2575  0.5022  1.0
  Mn  Mn4  2  0.4977  0.2557  0.9942  1.0
  O  O5  2  0.2151  0.2104  0.2090  1.0
  O  O6  2  0.2868  0.2008  0.7189  1.0
  O  O7  2  0.7159  0.2818  0.2752  1.0
  O  O8  2  0.7949  0.2817  0.7981  1.0
  O  O9  1  0.0796  0.5000  0.4818  1.0
  O  O10  1  0.4159  0.5000  0.9797  1.0
  O  O11  1  0.5779  0.0000  0.0218  1.0
  O  O12  1  0.9257  0.0000  0.5133  1.0
]