data_Mg2CrSb
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.14
_cell_length_b   5.14
_cell_length_c   4.92
_cell_angle_alpha   111.12
_cell_angle_beta   111.12
_cell_angle_gamma   39.06
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrSb
_chemical_formula_sum   'Mg2 Cr1 Sb1'
_cell_volume   75.83
_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  0.3  0.0  0.47  1.0
  Mg  Mg2  1  0.94  0.0  0.53  1.0
  Cr  Cr0  1  0.75  0.0  0.47  1.0
  Sb  Sb3  1  0.84  0.0  0.9  1.0

data_Mg2CrSb
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.44
_cell_length_b   4.92
_cell_length_c   5.14
_cell_angle_alpha   111.12
_cell_angle_beta   109.53
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrSb
_chemical_formula_sum   'Mg2 Cr1 Sb1'
_cell_volume   75.83
_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  0.47  0.3  1.0
  Mg  Mg1  1  0.0  0.53  0.94  1.0
  Cr  Cr2  1  0.0  0.47  0.75  1.0
  Sb  Sb3  1  0.0  0.9  0.84  1.0

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