data_Mg2CrOs
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.23
_cell_length_b   5.23
_cell_length_c   5.23
_cell_angle_alpha   145.19
_cell_angle_beta   132.11
_cell_angle_gamma   60.55
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrOs
_chemical_formula_sum   'Mg2 Cr1 Os1'
_cell_volume   59.89
_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  0.56  0.0  0.26  1.0
  Mg  Mg2  1  0.0  0.12  0.25  1.0
  Cr  Cr0  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.0  0.51  1.0

data_Mg2CrOs
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.13
_cell_length_b   4.24
_cell_length_c   5.23
_cell_angle_alpha   113.94
_cell_angle_beta   107.41
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Mg2CrOs
_chemical_formula_sum   'Mg2 Cr1 Os1'
_cell_volume   59.89
_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  0.26  0.7  1.0
  Mg  Mg1  1  0.88  0.13  0.13  1.0
  Cr  Cr2  1  0.0  0.0  0.0  1.0
  Os  Os3  1  0.0  0.51  0.51  1.0

Mg Mg Cr Os
Mg Mg Cr Os 0 3 + o o 1 2 o o o 1 3 o o o 