data_[Ta2Ni1Rh1]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ta  1.5000  1.4500  0.8200
  Ni  1.9100  1.3500  0.7400
  Rh  2.2800  1.3500  0.7450
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.8096]
_cell_length_b [4.5248]
_cell_length_c [4.8493]
_cell_angle_alpha [90.0000]
_cell_angle_beta [95.3312]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [Ta2NiRh]
_chemical_formula_sum '[Ta2 Ni1 Rh1]'
_cell_volume [61.3818]
_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  0.0375  0.0000  0.0630  1.0
  Ta  Ta1  1  0.2098  0.5000  0.6817  1.0
  Ni  Ni2  1  0.6344  0.0000  0.5542  1.0
  Rh  Rh3  1  0.6184  0.5000  0.2012  1.0
]