data_Cr2CoW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.53
_cell_length_b   4.53
_cell_length_c   4.53
_cell_angle_alpha   131.85
_cell_angle_beta   131.85
_cell_angle_gamma   70.46
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoW
_chemical_formula_sum   'Cr2 Co1 W1'
_cell_volume   50.44
_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
  Cr  Cr1  1  0.0  0.85  0.85  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.0  0.0  0.7  1.0
  W  W3  1  0.85  0.0  0.85  1.0

data_Cr2CoW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.69
_cell_length_b   3.69
_cell_length_c   4.53
_cell_angle_alpha   114.07
_cell_angle_beta   114.07
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Cr2CoW
_chemical_formula_sum   'Cr2 Co1 W1'
_cell_volume   50.44
_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
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.85  0.0  1.0
  Co  Co2  1  0.7  0.7  0.7  1.0
  W  W3  1  0.85  0.0  0.0  1.0

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