data_Zr2TaRh
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.66
_cell_length_b   5.66
_cell_length_c   5.66
_cell_angle_alpha   145.36
_cell_angle_beta   131.68
_cell_angle_gamma   60.81
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaRh
_chemical_formula_sum   'Zr2 Ta1 Rh1'
_cell_volume   76.4
_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
  Zr  Zr2  1  0.0  0.0  0.85  1.0
  Zr  Zr3  1  0.0  0.32  0.55  1.0
  Ta  Ta1  1  0.69  0.0  0.31  1.0
  Rh  Rh0  1  0.0  0.0  0.06  1.0

data_Zr2TaRh
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.37
_cell_length_b   4.64
_cell_length_c   5.66
_cell_angle_alpha   114.16
_cell_angle_beta   107.32
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaRh
_chemical_formula_sum   'Zr2 Ta1 Rh1'
_cell_volume   76.4
_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
  Zr  Zr0  1  0.15  0.15  0.15  1.0
  Zr  Zr1  1  0.45  0.77  0.77  1.0
  Ta  Ta2  1  0.38  0.69  0.38  1.0
  Rh  Rh3  1  0.94  0.94  0.94  1.0

Zr Zr Ta Rh