data_[Ta4As4Pt4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  As  2.1800  1.1500  0.6600
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [10.4171]
_cell_length_b [3.3258]
_cell_length_c [6.8166]
_cell_angle_alpha [90.0000]
_cell_angle_beta [115.4639]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [12]
_chemical_formula_structural [TaAsPt]
_chemical_formula_sum '[Ta4 As4 Pt4]'
_cell_volume [213.2208]
_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
[
  Ta  Ta0  4  0.1227  0.0000  0.8871  1
  As  As1  4  0.1674  0.5000  0.6179  1
  Pt  Pt2  4  0.1147  0.5000  0.2092  1
]