# generated using pymatgen
data_Ca3W
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.08130250
_cell_length_b   7.08130250
_cell_length_c   5.42291300
_cell_angle_alpha   90.00000000
_cell_angle_beta   90.00000000
_cell_angle_gamma   120.00000466
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Ca3W
_chemical_formula_sum   'Ca6 W2'
_cell_volume   235.49925757
_cell_formula_units_Z   2
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  0.17933800  0.35867700  0.25000000  1.0
  Ca  Ca1  1  0.64132300  0.82066200  0.25000000  1.0
  Ca  Ca2  1  0.17933800  0.82066200  0.25000000  1.0
  Ca  Ca3  1  0.82066200  0.64132300  0.75000000  1.0
  Ca  Ca4  1  0.35867700  0.17933800  0.75000000  1.0
  Ca  Ca5  1  0.82066200  0.17933800  0.75000000  1.0
  W  W6  1  0.33333300  0.66666700  0.75000000  1.0
  W  W7  1  0.66666700  0.33333300  0.25000000  1.0