data_Mn2BeW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.33
_cell_length_b   4.33
_cell_length_c   4.16
_cell_angle_alpha   106.71
_cell_angle_beta   106.71
_cell_angle_gamma   38.42
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeW
_chemical_formula_sum   'Mn2 Be1 W1'
_cell_volume   46.23
_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  Mn1  1  0.16  0.0  0.13  1.0
  Mn  Mn2  1  0.76  0.0  0.83  1.0
  Be  Be0  1  0.0  0.0  0.0  1.0
  W  W3  1  0.46  0.0  0.98  1.0

data_Mn2BeW
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.85
_cell_length_b   4.16
_cell_length_c   4.33
_cell_angle_alpha   106.71
_cell_angle_beta   109.21
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mn2BeW
_chemical_formula_sum   'Mn2 Be1 W1'
_cell_volume   46.23
_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  0.0  0.13  0.16  1.0
  Mn  Mn1  1  0.0  0.83  0.76  1.0
  Be  Be2  1  0.0  0.0  0.0  1.0
  W  W3  1  0.0  0.98  0.46  1.0

Mn Mn Be W
Mn Mn Be W 0 2 o o o 0 3 o o - 1 2 + o + 1 3 o o o 