data_CaGeW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.65
_cell_length_b   5.65
_cell_length_c   5.65
_cell_angle_alpha   147.26
_cell_angle_beta   130.64
_cell_angle_gamma   60.5
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeW2
_chemical_formula_sum   'Ca1 Ge1 W2'
_cell_volume   73.25
_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
  Ge  Ge1  1  0.0  0.0  0.88  1.0
  W  W2  1  0.59  0.0  0.65  1.0
  W  W3  1  0.0  0.36  0.23  1.0

data_CaGeW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.18
_cell_length_b   4.72
_cell_length_c   5.65
_cell_angle_alpha   114.68
_cell_angle_beta   106.37
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaGeW2
_chemical_formula_sum   'Ca1 Ge1 W2'
_cell_volume   73.25
_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
  Ge  Ge1  1  0.0  0.88  0.88  1.0
  W  W2  1  0.0  0.65  0.06  1.0
  W  W3  1  0.64  0.87  0.87  1.0

Ca Ge W W