data_Zr2CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.12
_cell_length_b   5.12
_cell_length_c   5.12
_cell_angle_alpha   139.8
_cell_angle_beta   123.33
_cell_angle_gamma   71.75
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoW
_chemical_formula_sum   'Zr2 Co1 W1'
_cell_volume   71.12
_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  0.43  0.27  1.0
  Zr  Zr3  1  0.76  0.0  0.89  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.0  0.0  0.15  1.0

data_Zr2CoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.52
_cell_length_b   4.86
_cell_length_c   5.12
_cell_angle_alpha   118.34
_cell_angle_beta   110.1
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoW
_chemical_formula_sum   'Zr2 Co1 W1'
_cell_volume   71.12
_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  0.0  0.89  0.13  1.0
  Zr  Zr1  1  0.57  0.83  0.83  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.15  0.15  1.0

Zr Zr Co W
Zr Zr Co W 0 1 - o - 0 3 o o o 0 2 o o o 1 2 + o + 1 3 + o + 2 3 o o o 