data_MgRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   5.18
_cell_length_b   5.18
_cell_length_c   5.18
_cell_angle_alpha   144.02
_cell_angle_beta   130.31
_cell_angle_gamma   62.86
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2As
_chemical_formula_sum   'Mg1 Re2 As1'
_cell_volume   61.7
_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  0.23  1.0
  Re  Re2  1  0.0  0.18  0.33  1.0
  Re  Re3  1  0.0  0.0  0.57  1.0
  As  As0  1  0.0  0.18  0.14  1.0

data_MgRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.2
_cell_length_b   4.36
_cell_length_c   5.18
_cell_angle_alpha   114.84
_cell_angle_beta   107.99
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgRe2As
_chemical_formula_sum   'Mg1 Re2 As1'
_cell_volume   61.7
_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  0.77  0.77  0.77  1.0
  Re  Re1  1  0.43  0.43  0.43  1.0
  Re  Re2  1  0.67  0.85  0.85  1.0
  As  As3  1  0.86  0.04  0.04  1.0

Mg Re Re As
Mg Re Re As 0 1 o o o 0 2 o o o 1 2 o o o 1 3 o o o 