data_CaAs2W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.4
_cell_length_b   7.4
_cell_length_c   7.4
_cell_angle_alpha   28.83
_cell_angle_beta   28.83
_cell_angle_gamma   28.83
_symmetry_Int_Tables_number   1
_chemical_formula_structural   CaAs2W
_chemical_formula_sum   'Ca1 As2 W1'
_cell_volume   83.32
_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  Ca2  1  0.0  0.0  0.68  1.0
  As  As0  1  0.0  0.0  0.74  1.0
  As  As1  1  0.0  0.0  0.64  1.0
  W  W3  1  0.0  0.0  0.02  1.0

data_CaAs2W
_symmetry_space_group_name_H-M   Cm
_cell_length_a   6.38
_cell_length_b   3.68
_cell_length_c   7.4
_cell_angle_alpha   90.0
_cell_angle_beta   106.7
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   CaAs2W
_chemical_formula_sum   'Ca2 As4 W2'
_cell_volume   166.64
_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
  Ca  Ca0  2  0.0  0.0  0.32  1.0
  As  As1  2  0.0  0.0  0.26  1.0
  As  As2  2  0.0  0.0  0.36  1.0
  W  W3  2  0.0  0.0  0.98  1.0

Ca As As W