data_CaInW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.68
_cell_length_b   5.68
_cell_length_c   5.68
_cell_angle_alpha   142.67
_cell_angle_beta   134.08
_cell_angle_gamma   60.61
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInW2
_chemical_formula_sum   'Ca1 In1 W2'
_cell_volume   78.87
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.0  0.9  1.0
  W  W2  1  0.82  0.0  0.5  1.0
  W  W3  1  0.0  0.21  0.41  1.0

data_CaInW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.63
_cell_length_b   4.43
_cell_length_c   5.68
_cell_angle_alpha   112.96
_cell_angle_beta   108.66
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaInW2
_chemical_formula_sum   'Ca1 In1 W2'
_cell_volume   78.87
_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
  Ca  Ca0  1  0.0  0.0  0.0  1.0
  In  In1  1  0.0  0.9  0.9  1.0
  W  W2  1  0.0  0.5  0.68  1.0
  W  W3  1  0.79  0.19  0.19  1.0

Ca In W W