data_Zr2CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.29
_cell_length_b   5.29
_cell_length_c   2.95
_cell_angle_alpha   101.34
_cell_angle_beta   101.34
_cell_angle_gamma   112.82
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoW
_chemical_formula_sum   'Zr2 Co1 W1'
_cell_volume   71.05
_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  0.94  0.8  0.38  1.0
  Zr  Zr3  1  0.94  0.2  0.38  1.0
  Co  Co0  1  0.0  0.0  0.0  1.0
  W  W1  1  0.93  0.0  0.0  1.0

data_Zr2CoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.95
_cell_length_b   5.29
_cell_length_c   5.29
_cell_angle_alpha   112.82
_cell_angle_beta   101.34
_cell_angle_gamma   101.34
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2CoW
_chemical_formula_sum   'Zr2 Co1 W1'
_cell_volume   71.05
_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  0.38  0.94  0.2  1.0
  Zr  Zr1  1  0.38  0.94  0.8  1.0
  Co  Co2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.93  0.0  1.0

Zr Zr Co W