data_Zr2MnW
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   3.05
_cell_length_b   4.34
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnW
_chemical_formula_sum   'Zr2 Mn1 W1'
_cell_volume   71.56
_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
  Zr  Zr2  1  0.77  0.0  0.3  1.0
  Zr  Zr3  1  0.85  0.17  0.46  1.0
  Mn  Mn0  1  0.83  0.0  0.82  1.0
  W  W1  1  0.95  0.17  0.93  1.0

data_Zr2MnW
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.05
_cell_length_b   4.34
_cell_length_c   5.55
_cell_angle_alpha   90.0
_cell_angle_beta   103.24
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Zr2MnW
_chemical_formula_sum   'Zr2 Mn1 W1'
_cell_volume   71.56
_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
  Zr  Zr0  1  0.77  0.0  0.3  1.0
  Zr  Zr1  1  0.85  0.17  0.46  1.0
  Mn  Mn2  1  0.83  0.0  0.82  1.0
  W  W3  1  0.95  0.17  0.93  1.0

Zr Zr Mn W