data_[Ta2Cr1Pt1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Cr  1.6600  1.4000  0.9400
  Pt  2.2800  1.3500  0.8050
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8197]
_cell_length_b [4.5859]
_cell_length_c [5.0211]
_cell_angle_alpha [90.0000]
_cell_angle_beta [97.1340]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2CrPt]
_chemical_formula_sum '[Ta2 Cr1 Pt1]'
_cell_volume [64.4246]
_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
[
  Ta  Ta0  1  0.7613  0.5000  0.3053  1
  Ta  Ta1  1  0.9823  0.0000  0.9659  1
  Cr  Cr2  1  0.3745  0.0000  0.4446  1
  Pt  Pt3  1  0.3820  0.5000  0.7842  1
]