data_[Ba4Cu1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ba  0.8900  2.1500  1.4900
  Cu  1.9000  1.3500  0.8200
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [P2/m]
_cell_length_a [7.9782]
_cell_length_b [4.6811]
_cell_length_c [8.1256]
_cell_angle_alpha [90.0000]
_cell_angle_beta [109.6734]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [10]
_chemical_formula_structural [Ba4CuPt]
_chemical_formula_sum '[Ba4 Cu1 Pt1]'
_cell_volume [285.7484]
_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  2  0.2700  0.5000  0.2674  1
  Ba  Ba1  2  0.2714  0.0000  0.7475  1
  Cu  Cu2  1  0.5000  0.5000  0.0000  1
  Pt  Pt3  1  0.5000  0.0000  0.5000  1
]