data_MgCrW2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.24
_cell_length_b   5.24
_cell_length_c   2.66
_cell_angle_alpha   99.6
_cell_angle_beta   99.6
_cell_angle_gamma   117.52
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrW2
_chemical_formula_sum   'Mg1 Cr1 W2'
_cell_volume   61.44
_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
  Mg  Mg1  1  0.0  0.0  0.0  1.0
  Cr  Cr0  1  0.72  0.0  0.0  1.0
  W  W2  1  0.93  0.24  0.26  1.0
  W  W3  1  0.93  0.76  0.26  1.0

data_MgCrW2
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.66
_cell_length_b   5.23
_cell_length_c   5.24
_cell_angle_alpha   117.02
_cell_angle_beta   99.6
_cell_angle_gamma   100.08
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgCrW2
_chemical_formula_sum   'Mg1 Cr1 W2'
_cell_volume   61.44
_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
  Mg  Mg0  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.72  1.0
  W  W2  1  0.02  0.76  0.69  1.0
  W  W3  1  0.5  0.24  0.17  1.0

Mg Cr W W
Mg Cr W W 0 2 - o o 0 1 - o o 0 3 - - o 1 2 o o o 