data_Zr2FeCo
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.17
_cell_length_b   4.36
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FeCo
_chemical_formula_sum   'Zr2 Fe1 Co1'
_cell_volume   65.81
_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  0.32  0.18  0.26  1.0
  Zr  Zr3  1  0.17  0.0  0.69  1.0
  Fe  Fe1  1  0.66  0.0  0.87  1.0
  Co  Co0  1  0.67  0.18  0.08  1.0

data_Zr2FeCo
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.17
_cell_length_b   4.36
_cell_length_c   4.83
_cell_angle_alpha   90.0
_cell_angle_beta   100.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2FeCo
_chemical_formula_sum   'Zr2 Fe1 Co1'
_cell_volume   65.81
_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  0.17  0.0  0.69  1.0
  Zr  Zr1  1  0.32  0.18  0.26  1.0
  Fe  Fe2  1  0.66  0.0  0.87  1.0
  Co  Co3  1  0.67  0.18  0.08  1.0

Zr Zr Fe Co
Zr Zr Fe Co 0 3 o o o 1 2 o o o 2 3 o o + 