data_Ca2GeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.06
_cell_length_b   6.06
_cell_length_c   6.06
_cell_angle_alpha   145.39
_cell_angle_beta   129.22
_cell_angle_gamma   62.91
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GeW
_chemical_formula_sum   'Ca2 Ge1 W1'
_cell_volume   96.65
_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  0.18  1.0
  Ca  Ca1  1  0.8  0.0  0.94  1.0
  Ge  Ge2  1  0.0  0.0  0.5  1.0
  W  W3  1  0.0  0.6  0.04  1.0

data_Ca2GeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.6
_cell_length_b   5.19
_cell_length_c   6.06
_cell_angle_alpha   115.39
_cell_angle_beta   107.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca2GeW
_chemical_formula_sum   'Ca2 Ge1 W1'
_cell_volume   96.65
_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  0.18  0.18  1.0
  Ca  Ca1  1  0.0  0.94  0.14  1.0
  Ge  Ge2  1  0.0  0.5  0.5  1.0
  W  W3  1  0.4  0.44  0.44  1.0

Ca Ca Ge W