data_[Ca4Be2W2N8]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Ca  1.0000  1.8000  1.1400
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
  N  3.0400  0.6500  0.6300
]
_symmetry_space_group_name_H-M [Pmn2_1]
_cell_length_a [6.6049]
_cell_length_b [5.8268]
_cell_length_c [5.5868]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [31]
_chemical_formula_structural [Ca2BeWN4]
_chemical_formula_sum '[Ca4 Be2 W2 N8]'
_cell_volume [215.0070]
_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  4  0.2494  0.2477  0.5087  1.0
  Be  Be1  2  0.0000  0.8072  0.4990  1.0
  W  W2  2  0.0000  0.1948  0.9991  1.0
  N  N3  4  0.2477  0.6497  0.4825  1.0
  N  N4  2  0.0000  0.0080  0.2703  1.0
  N  N5  2  0.0000  0.9826  0.7492  1.0
]