data_[Ba4Zn3In1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Zn  1.6500  1.3500  0.8800
  In  1.7800  1.5500  0.9400
]
_symmetry_space_group_name_H-M [Pmm2]
_cell_length_a [4.7715]
_cell_length_b [5.3636]
_cell_length_c [11.6963]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [25]
_chemical_formula_structural [Ba4Zn3In]
_chemical_formula_sum '[Ba4 Zn3 In1]'
_cell_volume [299.3343]
_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
[
  Ba  Ba0  1  0.0000  0.0000  0.8522  1.0
  Ba  Ba1  1  0.0000  0.5000  0.3533  1.0
  Ba  Ba2  1  0.5000  0.0000  0.1533  1.0
  Ba  Ba3  1  0.5000  0.5000  0.6404  1.0
  Zn  Zn4  1  0.0000  0.0000  0.5423  1.0
  Zn  Zn5  1  0.0000  0.5000  0.0583  1.0
  Zn  Zn6  1  0.5000  0.0000  0.4536  1.0
  In  In7  1  0.5000  0.5000  0.9466  1.0
]