data_BeRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   2.92
_cell_length_b   4.22
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2As
_chemical_formula_sum   'Be1 Re2 As1'
_cell_volume   55.53
_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
  Be  Be1  1  0.38  0.0  0.14  1.0
  Re  Re2  1  0.38  0.11  0.07  1.0
  Re  Re3  1  0.74  0.0  0.99  1.0
  As  As0  1  0.76  0.11  0.56  1.0

data_BeRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.92
_cell_length_b   4.22
_cell_length_c   4.51
_cell_angle_alpha   90.0
_cell_angle_beta   91.12
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   BeRe2As
_chemical_formula_sum   'Be1 Re2 As1'
_cell_volume   55.53
_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
  Be  Be0  1  0.38  0.0  0.14  1.0
  Re  Re1  1  0.38  0.11  0.07  1.0
  Re  Re2  1  0.74  0.0  0.99  1.0
  As  As3  1  0.76  0.11  0.56  1.0

Be Re Re As
Be Re Re As 0 1 o o o 0 2 o o - 0 3 o o o 1 2 o o - 1 3 o o o 1 3 o o - 2 3 o o + 2 3 o o o 