data_[Ba4In4Cu4P8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  In  1.7800  1.5500  0.9400
  Cu  1.9000  1.3500  0.8200
  P  2.1900  1.0000  0.5500
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [13.0560]
_cell_length_b [4.2221]
_cell_length_c [9.1850]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.9111]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [BaInCuP2]
_chemical_formula_sum '[Ba4 In4 Cu4 P8]'
_cell_volume [500.2013]
_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  0.1659  0.5000  0.6873  1.0
  In  In1  4  0.0501  0.0000  0.1870  1.0
  Cu  Cu2  4  0.1687  0.5000  0.0704  1.0
  P  P3  4  0.1296  0.5000  0.3287  1.0
  P  P4  4  0.1413  0.0000  0.9386  1.0
]