data_LaCo2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.81
_cell_length_b   4.81
_cell_length_c   2.85
_cell_angle_alpha   95.96
_cell_angle_beta   95.96
_cell_angle_gamma   90.29
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2W
_chemical_formula_sum   'La1 Co2 W1'
_cell_volume   65.21
_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
  La  La2  1  0.0  0.0  0.0  1.0
  Co  Co0  1  0.48  0.3  0.41  1.0
  Co  Co1  1  0.48  0.7  0.41  1.0
  W  W3  1  0.39  0.0  0.0  1.0

data_LaCo2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.81
_cell_length_c   4.81
_cell_angle_alpha   90.29
_cell_angle_beta   95.96
_cell_angle_gamma   95.96
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaCo2W
_chemical_formula_sum   'La1 Co2 W1'
_cell_volume   65.21
_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
  La  La0  1  0.0  0.0  0.0  1.0
  Co  Co1  1  0.41  0.48  0.7  1.0
  Co  Co2  1  0.41  0.48  0.3  1.0
  W  W3  1  0.0  0.39  0.0  1.0

La Co Co W
La Co Co W 0 3 o o o 1 3 o o o 1 2 o o o 2 3 o + o 2 3 o + + 