data_Mg2CrBi
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.53
_cell_length_b   5.53
_cell_length_c   5.53
_cell_angle_alpha   133.31
_cell_angle_beta   133.31
_cell_angle_gamma   68.16
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrBi
_chemical_formula_sum   'Mg2 Cr1 Bi1'
_cell_volume   87.75
_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  Mg2  1  0.0  0.19  0.29  1.0
  Mg  Mg3  1  0.0  0.0  0.0  1.0
  Cr  Cr1  1  0.0  0.0  0.58  1.0
  Bi  Bi0  1  0.19  0.0  0.29  1.0

data_Mg2CrBi
_symmetry_space_group_name_H-M   P1
_cell_length_a   4.38
_cell_length_b   4.38
_cell_length_c   5.53
_cell_angle_alpha   113.34
_cell_angle_beta   113.34
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrBi
_chemical_formula_sum   'Mg2 Cr1 Bi1'
_cell_volume   87.75
_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
  Mg  Mg1  1  0.9  0.19  0.9  1.0
  Cr  Cr2  1  0.42  0.0  0.42  1.0
  Bi  Bi3  1  0.71  0.0  0.9  1.0

Mg Mg Cr Bi