data_CaNb2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.1
_cell_length_b   5.1
_cell_length_c   5.97
_cell_angle_alpha   90.18
_cell_angle_beta   90.18
_cell_angle_gamma   31.24
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb2W
_chemical_formula_sum   'Ca1 Nb2 W1'
_cell_volume   80.37
_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  0.36  0.0  0.51  1.0
  Nb  Nb1  1  0.77  0.0  0.77  1.0
  Nb  Nb2  1  0.47  0.0  0.44  1.0
  W  W3  1  0.89  0.0  0.2  1.0

data_CaNb2W
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.74
_cell_length_b   5.1
_cell_length_c   5.97
_cell_angle_alpha   90.18
_cell_angle_beta   90.0
_cell_angle_gamma   105.62
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaNb2W
_chemical_formula_sum   'Ca1 Nb2 W1'
_cell_volume   80.37
_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  0.0  0.64  0.49  1.0
  Nb  Nb1  1  0.0  0.23  0.23  1.0
  Nb  Nb2  1  0.0  0.53  0.56  1.0
  W  W3  1  0.0  0.11  0.8  1.0

Ca Nb Nb W