data_MgReAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   7.8
_cell_length_b   7.8
_cell_length_c   7.8
_cell_angle_alpha   24.71
_cell_angle_beta   24.71
_cell_angle_gamma   24.71
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgReAs2
_chemical_formula_sum   'Mg1 Re1 As2'
_cell_volume   72.8
_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  0.0  0.0  1.0
  Re  Re3  1  0.0  0.0  0.33  1.0
  As  As0  1  0.0  0.0  0.46  1.0
  As  As1  1  0.0  0.0  0.2  1.0

data_MgReAs2
_symmetry_space_group_name_H-M   Cm
_cell_length_a   5.78
_cell_length_b   3.34
_cell_length_c   7.8
_cell_angle_alpha   90.0
_cell_angle_beta   104.3
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   8
_chemical_formula_structural   MgReAs2
_chemical_formula_sum   'Mg2 Re2 As4'
_cell_volume   145.6
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
  2  'x, -y, z'
  3  'x+1/2, y+1/2, z'
  4  'x+1/2, -y+1/2, 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  2  0.0  0.0  0.0  1.0
  Re  Re1  2  0.0  0.0  0.67  1.0
  As  As2  2  -0.0  0.0  0.8  1.0
  As  As3  2  0.0  0.0  0.54  1.0

Mg Re As As