data_Ca2NbW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.46
_cell_length_b   3.51
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   91.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbW
_chemical_formula_sum   'Ca2 Nb1 W1'
_cell_volume   102.37
_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  0.75  0.0  0.96  1.0
  Ca  Ca1  1  0.65  0.75  0.53  1.0
  Nb  Nb2  1  0.31  0.0  0.76  1.0
  W  W3  1  0.55  0.75  0.83  1.0

data_Ca2NbW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.46
_cell_length_b   3.51
_cell_length_c   8.44
_cell_angle_alpha   90.0
_cell_angle_beta   91.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2NbW
_chemical_formula_sum   'Ca2 Nb1 W1'
_cell_volume   102.37
_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  0.65  0.75  0.53  1.0
  Ca  Ca1  1  0.75  0.0  0.96  1.0
  Nb  Nb2  1  0.31  0.0  0.76  1.0
  W  W3  1  0.55  0.75  0.83  1.0

Ca Ca Nb W