data_Zr2TaCr
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.55
_cell_length_b   5.55
_cell_length_c   5.55
_cell_angle_alpha   136.9
_cell_angle_beta   136.9
_cell_angle_gamma   62.59
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaCr
_chemical_formula_sum   'Zr2 Ta1 Cr1'
_cell_volume   78.96
_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  0.75  1.0
  Zr  Zr3  1  0.0  0.04  0.37  1.0
  Ta  Ta1  1  0.04  0.0  0.37  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0

data_Zr2TaCr
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.08
_cell_length_b   4.08
_cell_length_c   5.55
_cell_angle_alpha   111.55
_cell_angle_beta   111.55
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaCr
_chemical_formula_sum   'Zr2 Ta1 Cr1'
_cell_volume   78.96
_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  0.25  0.0  0.25  1.0
  Zr  Zr1  1  0.67  0.04  0.67  1.0
  Ta  Ta2  1  0.63  0.0  0.67  1.0
  Cr  Cr3  1  0.0  0.0  0.0  1.0

Zr Zr Ta Cr