data_CaGaW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.81
_cell_length_b   5.02
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   93.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGaW2
_chemical_formula_sum   'Ca1 Ga1 W2'
_cell_volume   73.3
_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
  Ga  Ga1  1  0.23  0.0  0.6  1.0
  W  W2  1  0.68  0.51  0.92  1.0
  W  W3  1  0.78  0.51  0.28  1.0

data_CaGaW2
_symmetry_space_group_name_H-M   Pm
_cell_length_a   2.81
_cell_length_b   5.02
_cell_length_c   5.21
_cell_angle_alpha   90.0
_cell_angle_beta   93.88
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   6
_chemical_formula_structural   CaGaW2
_chemical_formula_sum   'Ca1 Ga1 W2'
_cell_volume   73.3
_cell_formula_units_Z   1
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  '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
  Ga  Ga1  1  0.23  0.0  0.6  1.0
  W  W2  1  0.68  0.5  0.92  1.0
  W  W3  1  0.78  0.5  0.28  1.0

Ca Ga W W