data_[Ba8Mn4As8]
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
  As  2.1800  1.1500  0.6600
]
_symmetry_space_group_name_H-M [Cmc2_1]
_cell_length_a [4.3562]
_cell_length_b [15.9274]
_cell_length_c [8.3075]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [36]
_chemical_formula_structural [Ba2MnAs2]
_chemical_formula_sum '[Ba8 Mn4 As8]'
_cell_volume [576.3965]
_cell_formula_units_Z [4]
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  4  0.0000  0.2843  0.6054  1
  Ba  Ba1  4  0.0000  0.4445  0.2948  1
  Mn  Mn2  4  0.0000  0.0800  0.4107  1
  As  As3  4  0.0000  0.0506  0.1021  1
  As  As4  4  0.0000  0.3596  0.9527  1
]