data_[Ca2Mn4Bi2O12]
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
  Bi  2.0200  1.6000  1.0350
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [7.7435]
_cell_length_b [7.6585]
_cell_length_c [5.4660]
_cell_angle_alpha [90.0000]
_cell_angle_beta [134.3534]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaMn2BiO6]
_chemical_formula_sum '[Ca2 Mn4 Bi2 O12]'
_cell_volume [231.7819]
_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  0.2247  0.0000  0.4537  1.0
  Mn  Mn1  4  0.2339  0.2507  0.9672  1.0
  Bi  Bi2  2  0.2606  0.5000  0.4810  1.0
  O  O3  4  0.4799  0.3038  0.9611  1.0
  O  O4  4  0.4808  0.2986  0.4676  1.0
  O  O5  2  0.1452  0.5000  0.8987  1.0
  O  O6  2  0.3190  0.0000  0.0516  1.0
]