data_LaRe2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.01
_cell_length_b   5.01
_cell_length_c   5.88
_cell_angle_alpha   106.84
_cell_angle_beta   106.84
_cell_angle_gamma   36.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2W
_chemical_formula_sum   'La1 Re2 W1'
_cell_volume   83.06
_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
  Re  Re1  1  0.95  0.0  0.71  1.0
  Re  Re2  1  0.78  0.0  0.89  1.0
  W  W3  1  0.86  0.0  0.8  1.0

data_LaRe2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.12
_cell_length_b   5.01
_cell_length_c   5.88
_cell_angle_alpha   106.84
_cell_angle_beta   90.0
_cell_angle_gamma   108.12
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaRe2W
_chemical_formula_sum   'La1 Re2 W1'
_cell_volume   83.06
_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
  Re  Re1  1  0.0  0.05  0.29  1.0
  Re  Re2  1  0.0  0.22  0.11  1.0
  W  W3  1  0.0  0.14  0.2  1.0

La Re Re W