data_Zr2CoPt
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.25
_cell_length_b   5.25
_cell_length_c   5.25
_cell_angle_alpha   135.84
_cell_angle_beta   135.84
_cell_angle_gamma   64.22
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoPt
_chemical_formula_sum   'Zr2 Co1 Pt1'
_cell_volume   69.44
_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  0.45  1.0
  Zr  Zr3  1  0.0  0.97  0.23  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  Pt  Pt1  1  0.97  0.0  0.23  1.0

data_Zr2CoPt
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.95
_cell_length_b   3.95
_cell_length_c   5.25
_cell_angle_alpha   112.08
_cell_angle_beta   112.08
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoPt
_chemical_formula_sum   'Zr2 Co1 Pt1'
_cell_volume   69.44
_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  0.23  0.25  1.0
  Zr  Zr1  1  0.45  0.45  0.45  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  Pt  Pt3  1  0.23  0.25  0.25  1.0

Zr Zr Co Pt