data_LaMnW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.19
_cell_length_b   5.19
_cell_length_c   5.2
_cell_angle_alpha   103.41
_cell_angle_beta   103.41
_cell_angle_gamma   34.03
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnW2
_chemical_formula_sum   'La1 Mn1 W2'
_cell_volume   75.95
_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  0.33  0.0  0.52  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.8  0.0  0.85  1.0
  W  W3  1  0.85  0.0  0.2  1.0

data_LaMnW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.04
_cell_length_b   5.19
_cell_length_c   5.2
_cell_angle_alpha   103.41
_cell_angle_beta   90.0
_cell_angle_gamma   107.02
_symmetry_Int_Tables_number   1
_chemical_formula_structural   LaMnW2
_chemical_formula_sum   'La1 Mn1 W2'
_cell_volume   75.95
_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  0.67  0.48  1.0
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  W  W2  1  0.0  0.15  0.8  1.0
  W  W3  1  0.0  0.2  0.15  1.0

La Mn W W
La Mn W W 0 1 o o o 0 1 o o + 0 3 - o o 0 0 + - o 0 2 o o o 1 2 - o - 1 3 - o o 