data_[Ta1Cr2Rh1C1]
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
  Rh  2.2800  1.3500  0.7450
  C  2.5500  0.7000  0.3000
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [3.9233]
_cell_length_b [3.9233]
_cell_length_c [4.0421]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [123]
_chemical_formula_structural [TaCr2RhC]
_chemical_formula_sum '[Ta1 Cr2 Rh1 C1]'
_cell_volume [62.2173]
_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  0.5000  0.5000  0.5000  1
  Cr  Cr1  2  0.0000  0.5000  0.0000  1
  Rh  Rh2  1  0.0000  0.0000  0.5000  1
  C  C3  1  0.0000  0.0000  0.0000  1
]