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 [Cm]
_cell_length_a [8.4190]
_cell_length_b [3.2747]
_cell_length_c [6.2533]
_cell_angle_alpha [90.0000]
_cell_angle_beta [100.5410]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [8]
_chemical_formula_structural [CaAsW2]
_chemical_formula_sum '[Ca2 As2 W4]'
_cell_volume [169.4919]
_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  0.2586  0.5000  0.2625  1
  As  As1  2  0.0101  0.5000  0.5726  1
  W  W2  2  0.2492  0.0000  0.7576  1
  W  W3  2  0.4822  0.5000  0.9073  1
]