data_SrCaW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   8.65
_cell_length_b   8.65
_cell_length_c   8.65
_cell_angle_alpha   158.95
_cell_angle_beta   158.95
_cell_angle_gamma   29.94
_symmetry_Int_Tables_number   1
_chemical_formula_structural   SrCaW
_chemical_formula_sum   'Sr1 Ca1 W1'
_cell_volume   83.4
_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
  Sr  Sr1  1  0.0  0.0  0.19  1.0
  Ca  Ca0  1  0.0  0.0  0.46  1.0
  W  W2  1  0.0  0.0  0.07  1.0

data_SrCaW
_symmetry_space_group_name_H-M   Cm
_cell_length_a   4.47
_cell_length_b   4.47
_cell_length_c   8.65
_cell_angle_alpha   90.0
_cell_angle_beta   104.97
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   SrCaW
_chemical_formula_sum   'Sr2 Ca2 W2'
_cell_volume   166.8
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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
  Sr  Sr0  2  0.0  0.0  0.81  1.0
  Ca  Ca1  2  0.0  0.0  0.54  1.0
  W  W2  2  0.0  0.0  0.93  1.0

Sr Ca W
Sr Ca W 0 2 o o o 0 1 o o o 