data_MnRe2As
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.73
_cell_length_b   4.73
_cell_length_c   4.48
_cell_angle_alpha   97.02
_cell_angle_beta   97.02
_cell_angle_gamma   35.21
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2As
_chemical_formula_sum   'Mn1 Re2 As1'
_cell_volume   57.38
_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
  Mn  Mn1  1  0.0  0.0  0.0  1.0
  Re  Re2  1  0.45  0.0  0.03  1.0
  Re  Re3  1  0.0  0.0  0.41  1.0
  As  As0  1  0.23  0.0  0.22  1.0

data_MnRe2As
_symmetry_space_group_name_H-M   P1
_cell_length_a   2.86
_cell_length_b   4.48
_cell_length_c   4.73
_cell_angle_alpha   97.02
_cell_angle_beta   107.61
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MnRe2As
_chemical_formula_sum   'Mn1 Re2 As1'
_cell_volume   57.38
_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
  Mn  Mn0  1  0.0  0.0  0.0  1.0
  Re  Re1  1  0.0  0.03  0.45  1.0
  Re  Re2  1  0.0  0.41  0.0  1.0
  As  As3  1  0.0  0.22  0.23  1.0

Mn Re Re As