data_MnInW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.1
_cell_angle_alpha   136.05
_cell_angle_beta   136.05
_cell_angle_gamma   63.9
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnInW2
_chemical_formula_sum   'Mn1 In1 W2'
_cell_volume   63.15
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  In  In0  1  0.0  0.0  0.33  1.0
  W  W2  1  0.91  0.0  0.17  1.0
  W  W3  1  0.0  0.91  0.17  1.0

data_MnInW2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.4
_cell_length_b   5.4
_cell_length_c   5.1
_cell_angle_alpha   90.0
_cell_angle_beta   121.95
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MnInW2
_chemical_formula_sum   'Mn2 In2 W4'
_cell_volume   126.31
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Mn  Mn0  2  0.0  0.0  0.0  1.0
  In  In1  2  0.0  0.0  0.33  1.0
  W  W2  4  0.05  0.05  0.26  1.0

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