data_[Ca2As2W4]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  As  2.1800  1.1500  0.6600
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [3.4477]
_cell_length_b [4.8893]
_cell_length_c [8.9401]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [44]
_chemical_formula_structural [CaAsW2]
_chemical_formula_sum '[Ca2 As2 W4]'
_cell_volume [150.7007]
_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  2  0.0000  0.5000  0.2509  1
  As  As1  2  0.0000  0.0000  0.4790  1
  W  W2  2  0.0000  0.0000  0.0274  1
  W  W3  2  0.0000  0.5000  0.7427  1
]