data_[Ba4Mn2Zn2As4O2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Mn  1.5500  1.4000  0.6483
  Zn  1.6500  1.3500  0.8800
  As  2.1800  1.1500  0.6600
  O  3.4400  0.6000  1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.3169]
_cell_length_b [4.2128]
_cell_length_c [7.5827]
_cell_angle_alpha [90.0000]
_cell_angle_beta [122.1634]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [Ba2MnZnAs2O]
_chemical_formula_sum '[Ba4 Mn2 Zn2 As4 O2]'
_cell_volume [333.0755]
_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
[
  Ba  Ba0  2  0.0460  0.0000  0.2900  1
  Ba  Ba1  2  0.4492  0.5000  0.7062  1
  Mn  Mn2  2  0.1883  0.5000  0.0755  1
  Zn  Zn3  2  0.3082  0.0000  0.9233  1
  As  As4  2  0.1905  0.5000  0.7242  1
  As  As5  2  0.3173  0.0000  0.2806  1
  O  O6  2  0.0004  0.5000  0.0003  1
]