data_MgBeAs2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   6.33
_cell_length_b   6.33
_cell_length_c   6.33
_cell_angle_alpha   148.34
_cell_angle_beta   147.66
_cell_angle_gamma   45.89
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeAs2
_chemical_formula_sum   'Mg1 Be1 As2'
_cell_volume   70.86
_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  Mg3  1  0.0  0.76  0.38  1.0
  Be  Be2  1  0.0  0.0  0.32  1.0
  As  As0  1  0.0  0.0  0.23  1.0
  As  As1  1  0.73  0.0  0.73  1.0

data_MgBeAs2
_symmetry_space_group_name_H-M   P1
_cell_length_a   3.45
_cell_length_b   3.52
_cell_length_c   6.33
_cell_angle_alpha   106.17
_cell_angle_beta   105.83
_cell_angle_gamma   90.0
_symmetry_Int_Tables_number   1
_chemical_formula_structural   MgBeAs2
_chemical_formula_sum   'Mg1 Be1 As2'
_cell_volume   70.86
_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  0.24  0.62  0.62  1.0
  Be  Be1  1  0.0  0.32  0.32  1.0
  As  As2  1  0.0  0.23  0.23  1.0
  As  As3  1  0.0  0.73  0.01  1.0

Mg Be As As