data_[Ca3Tb1Mn4O12]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Tb  1.1000  1.7500  0.9815
  Mn  1.5500  1.4000  0.6483
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [5.3521]
_cell_length_b [7.5929]
_cell_length_c [5.4534]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.1108]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ca3TbMn4O12]
_chemical_formula_sum '[Ca3 Tb1 Mn4 O12]'
_cell_volume [221.6158]
_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  0.0089  0.5000  0.0448  1.0
  Ca  Ca1  1  0.4919  0.5000  0.5439  1.0
  Ca  Ca2  1  0.9918  0.0000  0.9527  1.0
  Tb  Tb3  1  0.5114  0.0000  0.4434  1.0
  Mn  Mn4  2  0.0015  0.2513  0.5006  1.0
  Mn  Mn5  2  0.4987  0.2514  0.9967  1.0
  O  O6  2  0.2017  0.2893  0.7964  1.0
  O  O7  2  0.3008  0.2834  0.2987  1.0
  O  O8  2  0.7018  0.2048  0.7032  1.0
  O  O9  2  0.7874  0.2020  0.2139  1.0
  O  O10  1  0.0873  0.0000  0.5188  1.0
  O  O11  1  0.4221  0.0000  0.0229  1.0
  O  O12  1  0.5796  0.5000  0.9785  1.0
  O  O13  1  0.9233  0.5000  0.4760  1.0
]