data_[Mn1Be1W2]
loop_
 _atom_type_symbol
 _atom_type_electronegativity
 _atom_type_radius
 _atom_type_ionic_radius
[
  Mn  1.5500  1.4000  0.6483
  Be  1.5700  1.0500  0.5900
  W  2.3600  1.3500  0.7667
]
_symmetry_space_group_name_H-M [Pm]
_cell_length_a [2.6832]
_cell_length_b [4.2066]
_cell_length_c [4.7679]
_cell_angle_alpha [90.0000]
_cell_angle_beta [98.8905]
_cell_angle_gamma [90.0000]
_symmetry_Int_Tables_number [6]
_chemical_formula_structural [MnBeW2]
_chemical_formula_sum '[Mn1 Be1 W2]'
_cell_volume [53.1687]
_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
[
  Mn  Mn0  1  0.3316  0.5000  0.7611  1
  Be  Be1  1  0.3800  0.0000  0.4869  1
  W  W2  1  0.0077  0.0000  0.9707  1
  W  W3  1  0.7807  0.5000  0.2814  1
]