data_Zr2TaCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.54
_cell_length_b   5.54
_cell_length_c   5.54
_cell_angle_alpha   144.8
_cell_angle_beta   130.74
_cell_angle_gamma   61.98
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaCo
_chemical_formula_sum   'Zr2 Ta1 Co1'
_cell_volume   73.47
_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  0.47  1.0
  Zr  Zr3  1  0.67  0.0  0.53  1.0
  Ta  Ta1  1  0.0  0.31  0.17  1.0
  Co  Co0  1  0.0  0.0  0.83  1.0

data_Zr2TaCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.35
_cell_length_b   4.62
_cell_length_c   5.54
_cell_angle_alpha   114.63
_cell_angle_beta   107.6
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2TaCo
_chemical_formula_sum   'Zr2 Ta1 Co1'
_cell_volume   73.47
_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  0.47  0.15  1.0
  Zr  Zr1  1  0.53  0.53  0.53  1.0
  Ta  Ta2  1  0.83  0.14  0.14  1.0
  Co  Co3  1  0.17  0.17  0.17  1.0

Zr Zr Ta Co